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Interplay of coulomb and exciton-phonon coupling controls singlet fission dynamics in two pentacene polymorphs. 2024
Generalized quantum master equations can improve the accuracy of semiclassical predictions of multitime correlation functions. 2024
Formation of the oxyl's potential energy surface by the spectral kinetics of a vibrational mode. 2024
Probing the electronic structure and ground state symmetry of gas phase C₆₀⁺ via VUV photoionization and comparison with theory 2024
State-to-state study of non-equilibrium recombination of oxygen and nitrogen molecules 2024
Efficient formulation of multitime generalized quantum master equations: Taming the cost of simulating 2D spectra 2024
Exciton and biexciton transient absorption spectra of CdSe quantum dots with varying diameters 2024
Beyond the Condon limit: Condensed phase optical spectra from atomistic simulations 2023
Low-temperature trapping of N₂ reduction reaction intermediates in nitrogenase MoFe protein-CdS quantum dot complexes 2023
Non-equilibrium dynamics at the gas-liquid interface: State-resolved studies of NO evaporation from a benzyl alcohol liquid microjet 2023
A derivation of the conditions under which bosonic operators exactly capture fermionic structure and dynamics 2023
An accurate and efficient Ehrenfest dynamics approach for calculating linear and nonlinear electronic spectra 2023
Compact and complete description of non-Markovian dynamics 2023
Near-exact nuclear gradients of complete active space self-consistent field wave functions 2022
Photodissociation of quinoline cation: Mapping the potential energy surface 2022
Comprehensive survey of dissociative photoionization of quinoline by PEPICO experiments 2022
Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte Carlo 2022
Semi-empirical quantum optics for mid-infrared molecular nanophotonics 2022
Vapor deposition rate modifies anisotropic glassy structure of an anthracene-based organic semiconductor 2022
Clock transitions guard against spin decoherence in singlet fission 2021
A fast algorithm for computing the Boys function 2021
Introducing special issue on photocatalysis and photoelectrochemistry 2021
Using isotopologues to probe the potential energy surface of reactions of C2H2++C3H4 2021
Representations of energy landscapes by sublevelset persistent homology: An example with n-alkanes 2021
Insights into adsorption, diffusion, and reactions of atomic nitrogen on a highly oriented pyrolytic graphite surface 2021
Isotope-specific reactions of acetonitrile (CH₃CN) with trapped, translationally cold CCl⁺ 2021
Characterization of a vacuum ultraviolet light source at 118 nm 2021
Excited state diabatization on the cheap using DFT: Photoinduced electron and hole transfer 2020
Efficient local energy evaluation for multi-Slater wave functions in orbital space quantum Monte Carlo 2020
Exploring reactivity and product formation in N(⁴S) collisions with pristine and defected graphene with direct dynamics simulations 2020
Efficient multireference perturbation theory without high-order reduced density matrices 2020
Recent developments in the PySCF program package 2020
On the advantages of exploiting memory in Markov state models for biomolecular dynamics 2020
Inelastic scattering dynamics of naphthalene and 2-octanone on highly oriented pyrolytic graphite 2020
Reactions of translationally cold trapped CCl⁺with acetylene (C₂H₂) 2020
Tailored energy level alignment at MoOX/GaP interface for solar-driven redox flow battery application 2020
Toward quantifying capacity losses due to solid electrolyte interphase evolution in silicon thin film batteries 2020
An accelerated linear method for optimizing non-linear wavefunctions in variational Monte Carlo 2020
Dirac-Fock calculations on molecules in an adaptive multiwavelet basis 2019
Multireference configuration interaction and perturbation theory without reduced density matrices 2019
Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals 2019
Theoretical limits of multiple exciton generation and singlet fission tandem devices for solar water splitting 2019
Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches 2019
Efficient construction of generalized master equation memory kernels for multi-state systems from nonadiabatic quantum-classical dynamics 2019
Message-passing neural networks for high-throughput polymer screening 2019
Constructing surface models of silicate glasses using molecular dynamics to understand the effect of pH on the hydration properties 2019
Configurational mapping significantly increases the efficiency of solid-solid phase coexistence calculations via molecular dynamics: Determining the FCC-HCP coexistence line of Lennard-Jones particles 2019
Quantum-state-resolved studies of aqueous evaporation dynamics: NO ejection from a liquid water microjet 2019
Fast semistochastic heat-bath configuration interaction 2018
Uncertainty quantification confirms unreliable extrapolation toward high pressures for united-atom Mie lambda-6 force field 2018
Predissociation dynamics of the HCl-(H2O)(3) tetramer: An experimental and theoretical investigation 2018
Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams 2018
Improved free-energy landscape reconstruction of bacteriorhodopsin highlights local variations in unfolding energy 2018
Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer (vol 148, 084308, 2018) 2018
Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer 2018
Vibrational energy transfer and dissociation in O₂-N₂ collisions at hyperthermal temperatures 2018
Construction of a coarse-grain quasi-classical trajectory method. I. Theory and application to N₂-N₂ system 2018
Construction of a coarse-grain quasi-classical trajectory method. II. Comparison against the direct molecular simulation method 2018
L-edge spectroscopy of dilute, radiation-sensitive systems using a transition-edge-sensor array 2017
Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer 2017
Excited states using semistochastic heat-bath configuration interaction 2017
Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer 2017
Investigation of the two- and three-fragment photodissociation of the tert-butyl peroxy radical at 248 nm 2017
Production of carbon clusters C₃ to C₁₂ with a cryogenic buffer-gas beam source 2017
A new electron-ion coincidence 3D momentum-imaging method and its application in probing strong field dynamics of 2-phenylethyl-N, N-dimethylamine 2017
A new electron-ion coincidence 3D momentum-imaging method and its application in probing strong field dynamics of 2-phenylethyl-N, N-dimethylamine 2017
Stochastic multi-reference perturbation theory with application to the linearized coupled cluster method (vol 146, 044107, 2017) 2017
Near infrared overtone (vOH = 2 ← 0) spectroscopy of Ne–H2O clusters 2017
Perspective: Thermal and thermoelectric transport in molecular junctions 2017
Approximate but accurate quantum dynamics from the Mori formalism. II. Equilibrium time correlation functions 2017
Competition between Al₂O₃ atomic layer etching and AlF₃ atomic layer deposition using sequential exposures of trimethylaluminum and hydrogen fluoride 2017
Stochastic multi-reference perturbation theory with application to the linearized coupled cluster method 2017
Path integral approach to the Wigner representation of canonical density operators for discrete systems coupled to harmonic baths 2017
Quantum and quasi-classical collisional dynamics of O₂-Ar at high temperatures (vol 144, 234311, 2016) 2016
Communication: Stiffening of dilute alcohol and alkane mixtures with water 2016
Non-adiabatic transition probability dependence on conical intersection topography 2016
Hydrocarbon adsorption in an aqueous environment: A computational study of alkyls on Cu(111) 2016
High resolution spectroscopy of jet cooled phenyl radical: The ν₁ and ν₂ a₁ symmetry C-H stretching modes 2016
Photodissociation dynamics of the methyl perthiyl radical at 248 and 193 nm using fast-beam photofragment translational spectroscopy 2016
The electronic spectrum of cryogenic ruthenium-tris-bipyridine dications in vacuo 2016
The thermal decomposition of the benzyl radical in a heated micro-reactor. II. Pyrolysis of the tropyl radical 2016
Thermal relaxation of molecular oxygen in collisions with nitrogen atoms 2016
Quantum and quasi-classical collisional dynamics of O₂-Ar at high temperatures 2016
Reactions of substituted benzene anions with N and O atoms: Chemistry in Titan's upper atmosphere and the interstellar medium 2016
Approximate but accurate quantum dynamics from the Mori formalism: I. Nonequilibrium dynamics 2016
Generalized quantum master equations in and out of equilibrium: When can one win? 2016
Infrared spectroscopic studies on the cluster size dependence of charge carrier structure in nitrous oxide cluster anions 2016
Rovibrational energy transfer and dissociation in O₂-O collisions 2016
Sub-Doppler infrared spectroscopy and formation dynamics of triacetylene in a slit supersonic expansion 2016
Extending the applicability of Redfield theories into highly non-Markovian regimes 2015
Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties 2015
Multireference linearized coupled cluster theory for strongly correlated systems using matrix product states 2015
Collective aspects of singlet fission in molecular crystals 2015
Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions 2015
The thermal decomposition of the benzyl radical in a heated micro-reactor. I. Experimental findings 2015
The ab-initio density matrix renormalization group in practice 2015
A general non-Abelian density matrix renormalization group algorithm with application to the C₂ dimer 2015
Communication: A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states 2014
On computing stress in polymer systems involving multi-body potentials from molecular dynamics simulation 2014
Investigation of 3-fragment photodissociation of O-3 at 193.4 and 157.6 nm by coincident measurements 2014
Unimolecular thermal decomposition of dimethoxybenzenes 2014
Two-dimensional Fourier transform electronic spectroscopy at a conical intersection 2014
Spectroscopic accuracy directly from quantum chemistry: Application to ground and excited states of beryllium dimer 2014
Electronic structure and UV spectrum of hexachloroplatinate dianions in vacuo 2013
Pyrolysis of furan in a microreactor 2013
Biomass pyrolysis: Thermal decomposition mechanisms of furfural and benzaldehyde 2013
Vibrationally induced charge transfer in a bimolecular model complex in vacuo 2013
Multistate reweighting and configuration mapping together accelerate the efficiency of thermodynamic calculations as a function of molecular geometry by orders of magnitude 2013
Improved sliced velocity map imaging apparatus optimized for H photofragments 2013
A study of resonance progressions in the F+HCl→Cl+HF reaction: A lifetime matrix analysis of pre-reactive and post-reactive collision complexes 2013
Photoisomerization for a model protonated Schiff base in solution: Sloped/peaked conical intersection perspective 2012
Thermal decomposition of CH₃CHO studied by matrix infrared spectroscopy and photoionization mass spectroscopy 2012
Infrared spectroscopy of hydrated naphthalene cluster anions 2012
A density functional study of C₁-C₄ alkyl adsorption on Cu(111) 2012
A six-dimensional wave packet study of the vibrational overtone induced decomposition of hydrogen peroxide 2012
Will water act as a photocatalyst for cluster phase chemical reactions? Vibrational overtone-induced dehydration reaction of methanediol 2012
Optimal pairwise and non-pairwise alchemical pathways for free energy calculations of molecular transformation in solution phase 2012
Spin-adapted density matrix renormalization group algorithms for quantum chemistry 2012
Overtone-induced dissociation and isomerization dynamics of the hydroxymethyl radical (CH₂OH and CD₂OH). II. Velocity map imaging studies 2012
Photoelectron spectroscopy of 1-nitropropane and 1-nitrobutane anions 2012
Replica exchange and expanded ensemble simulations as Gibbs sampling: Simple improvements for enhanced mixing 2011
Laser-induced fluorescence studies of HfF+ produced by autoionization 2011
Identifying low variance pathways for free energy calculations of molecular transformations in solution phase 2011
Perspective: Water cluster mediated atmospheric chemistry 2011
The products of the thermal decomposition of CH₃CHO 2011
Dynamical reweighting: Improved estimates of dynamical properties from simulations at multiple temperatures 2011
Photoelectron imaging spectroscopy of nitroethane anions 2011
Solvent-mediated charge redistribution in photodissociation of IBr- and IBr-(CO2) 2011
Visualization and interpretation of attosecond electron dynamics in laser-driven hydrogen molecular ion using Bohmian trajectories 2011
Structure prediction and targeted synthesis: A new NanN2 diazenide crystalline structure 2010
Biofunctionalization and immobilization of a membrane via peptide binding (CR3-1, S2) by a Monte Carlo simulation 2010
Ice crystallization in water's "no-man's land" 2010
Dynamics and spectroscopy of vibrational overtone excited glyoxylic acid and 2,2-dihydroxyacetic acid in the gas-phase 2010
Excited states of methylene from quantum Monte Carlo 2009
Dissociative excitation transfer in the reaction of O-2(a(1)Delta(g)) with OH-(H2O)(1,2) clusters 2009
Ionic velocities in an ionic liquid under high electric fields using all-atom and coarse-grained force field molecular dynamics 2009
Growing correlation length in supercooled water 2009
Infrared spectra of SF6-center dot HCOOH center dot Ar-n (n=0-2): Infrared triggered reaction and Ar-induced reactive inhibition 2009
Low-energy photoelectron imaging spectroscopy of nitromethane anions: Electron affinity, vibrational features, anisotropies, and the dipole-bound state 2009
A combined experimental/theoretical investigation of the near-infrared photodissociation of IBr-(CO2)(n) 2008
Comparison of efficiency and bias of free energies computed by exponential averaging, the Bennett acceptance ratio, and thermodynamic integration (vol 122, art no 144107, 2005) 2008
The polarization anisotropy of vibrational quantum beats in resonant pump-probe experiments: Diagrammatic calculations for square symmetric molecules 2008
Statistically optimal analysis of samples from multiple equilibrium states 2008
Theory of coherent resonance energy transfer 2008
Hyperthermal Ar atom scattering from a C(0001) surface 2008
Excited-state relaxation in PbSe quantum dots 2008
Polarized pump-probe measurements of electronic motion via a conical intersection 2008
Electronically excited states and visible region photodissociation spectroscopy of Au_m⁺•Ar_n clusters (m=7-9):: Molecular dimensionality transition? 2008
Response functions for dimers and square-symmetric molecules in four-wave-mixing experiments with polarized light (vol 123, art no 044102, 2005) 2008
Calculated electronic transitions of the water ammonia complex 2008
Infrared spectra of SF6-center dot(H2O)(n) (n=1-3): Incipient reaction and delayed onset of water network formation 2007
Infrared spectroscopy of anionic hydrated fluorobenzenes 2007
Theoretical and infrared spectroscopic investigation of the O-2(-)center dot benzene and O-4(-)center dot benzene complexes 2007
Single-active-electron ionization of C-60 in intense laser pulses to high charge states 2007
Dynamics of the Rydberg electron in H-*+D-2 -> D-*+HD reactive collisions 2007
Propagation, beam geometry, and detection distortions of peak shapes in two-dimensional Fourier transform spectra 2007
Unimolecular thermal fragmentation of ortho-benzyne 2007
Observing the stereodynamics of chemical reactions using randomly oriented molecular beams (vol 124, 241105, 2006) 2006
Time-resolved study of solvent-induced recombination in photodissociated IBr-(CO2)(n) clusters 2006
Infrared spectra of HC2-center dot(C2H2)(n) and O-2(-)center dot(C2H2)(n) clusters (n=2-5) 2006
Parallelized-over-parts computation of absolute binding free energy with docking and molecular dynamics 2006
Efficient solution of Poisson's equation with free boundary conditions 2006
Observing the stereodynamics of chemical reactions using randomly oriented molecular beams 2006
Interaction energy and surface reconstruction between sheets of layered silicates 2006
Multireference configuration interaction calculations for the F(²P) plus HCl→HF+Cl(²P) reaction:: A correlation scaled ground state (1 ²A^′) potential energy surface 2006
The effect of broken conjugation on the excited state:: Ether linkage in the cyano-substituted poly(p-phenylene vinylene) conjugated polymer poly(2,5,2′,5′-tetrahexyloxy-8,7′-dicyano-di-p-phenylene vinylene) 2006
Photon echo spectroscopy of porphyrins and heme proteins: Effects of quasidegenerate electronic structure on the peak shift decay 2006
The state-to-state-to-state model for direct chemical reactions:: Application to D+H₂→HD+H 2006
A comparison of experimental and calculated spectra of HNO₃ in the near-infrared using Fourier transform infrared spectroscopy and vibrational perturbation theory 2006
Grain-boundary free energy via thermodynamic integration 2006
Quantum-chemical investigation of second-order nonlinear optical chromophores:: Comparison of strong nitrile-based acceptor end groups and role of auxiliary donors and acceptors -: art. no. 044510 2006
Photodetachment spectroscopy of PtBr42-: Probing the Coulomb barrier of a doubly charged anion 2005
Solvent effects on the vibronic one-photon absorption profiles of dioxaborine heterocycles 2005
Response functions for dimers and square-symmetric molecules in four-wave-mixing experiments with polarized light (vol 123, pg 044102, 2005) 2005
An anomaly in the isotopomer shift of the hyperfine spectrum of LiI 2005
Direct calculation of the binding free energies of FKBP ligands 2005
Unusual hydrogen bonding behavior in binary complexes of coinage metal anions with water 2005
Chemical reaction dynamics of Rydberg atoms with neutral molecules: A comparison of molecular-beam and classical trajectory results for the H(n)+D-2 -> HD+D(n ') reaction 2005
Infrared spectra of O₂^-•(CO₂)_n clusters (n=1-6):: Asymmetric docking at the π* orbital -: art. no. 074316 2005
Response functions for dimers and square-symmetric molecules in four-wave-mixing experiments with polarized light 2005
Pretransitional behavior of a water in liquid crystal microemulsion close to the demixing transition: Evidence for intermicellar attraction mediated by paranematic fluctuations 2005
The infrared spectrum of Au^-CO2 -: art. no. 154301 2005
Comparison of efficiency and bias of free energies computed by exponential averaging, the Bennett acceptance ratio, and thermodynamic integration 2005
Solvation free energies of amino acid side chain analogs for common molecular mechanics water models 2005
On the coupling between molecular diffusion and solvation shell exchange 2005
Photoelectron spectroscopy of fullerene dianions C-76(2-), C-78(2-), and C-84(2-) 2005
Infrared spectra of X-center dot CO2 center dot Ar cluster anions (X=Cl,Br,I) (vol 120, pg 10056, 2004) 2005
Photodissociation dynamics of IBr-(CO2)(n), n < 15 2005
Close-coupling calculations of low-energy inelastic and elastic processes in He-4 collisions with H-2: A comparative study of two potential energy surfaces 2005
Crossed beams and theoretical studies of the dynamics of hyperthermal collisions between Ar and ethane 2004
Multiresolution quantum chemistry: Basic theory and initial applications 2004
A multichannel electron energy loss spectrometer for low-temperature condensed films 2004
Joint experimental and theoretical study of vibrationally inelastic electron scattering on propane 2004
Multiresolution quantum chemistry in multiwavelet bases: Hartree-Fock exchange 2004
Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree-Fock and density functional theory 2004
Infrared spectra of X^-•CO₂•Ar cluster anions (X = Cl,Br,I) 2004
Analysis of the phase transitions in alkyl-mica by density and pressure profiles 2004
Gas-phase reactions of organic radicals and diradicals with ions 2004
Measurements and simulations of high energy O(P-3)+Ar(S-1) angular scattering: Single and multi-collision regimes 2004
Indirect adsorbate-adsorbate interactions mediated through the surface electronic structure of the Si(100) surface 2004
Crossed beams and theoretical studies of the O(³P)+CH₄→H+OCH₃ reaction excitation function 2004
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins 2003
Erratum: Spectral relaxation in pump-probe transients (vol 118, pg 9348, 2003) 2003
Electronic photodissociation spectroscopy of Au-4(+)center dot Ar-n, n=0-4: Experiment and theory 2003
Role of cyclic sets of transition dipoles in the pump-probe polarization anisotropy: Application to square symmetric molecules and perpendicular chromophore pairs 2003
Time delay as a tool to identify the signatures of reactive resonance:: F+HD and F+H₂ reactions 2003
Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times 2003
Spectral relaxation in pump-probe transients 2003
Understanding and predicting the temporal response of laser-induced incandescence from carbonaceous particles 2003
Theoretical and experimental study of the chemisorption of 1,3 disilabutane on the Si(100) surface 2003
Liquid-phase adaptive femtosecond quantum control: Removing intrinsic intensity dependencies 2003
A crossed molecular beams study of the O(³P)+H₂ reaction:: Comparison of excitation function with accurate quantum reactive scattering calculations 2003
A fully state- and angle-resolved study of the H+HD→D+H₂ reaction:: Comparison of a molecular beam experiment to ab initio quantum reaction dynamics 2002
Reactive and inelastic scattering dynamics of hyperthermal oxygen atoms on a saturated hydrocarbon surface 2002
Ultrafast photodissociation of Br₂:: Laser-generated high-harmonic soft x-ray probing of the transient photoelectron spectra and ionization cross sections 2002
Deviations from the Boltzmann distribution in small microcanonical quantum systems: Two approximate one-particle energy distributions 2002
Atomic layer deposition of hafnium oxide: A detailed reaction mechanism from first principles 2002
Isotropic and anisotropic Raman scattering from molecular liquids measured by spatially masked optical Kerr effect spectroscopy 2002
A quantum chemical study of the self-directed growth mechanism of styrene and propylene molecular nanowires on the silicon (100) 2X1 surface 2002
Atomistic mechanism of the initial oxidation of the clean Si(100)-(2x1) surface by O-2 and SiO2 decomposition 2002
State-to-state dynamics of H+HD→H₂+D at 0.5 eV:: A combined theoretical and experimental study 2002
A globally smooth ab initio potential surface of the 1 A ' state for the reaction S(D-1)+H-2 2002
Rotational level dependence of ground state recovery rates for OH X-2 Pi(v ''(')=0) in atmospheric pressure flames using the picosecond saturating-pump degenerate four-wave mixing probe technique 2002
The mechanism of HF/H₂O chemical etching of SiO₂ 2002
Prediction of transition state barriers and enthalpies of reaction by a new hybrid density-functional approximation 2001
Argon predissociation and electron autodetachment spectroscopy of size-selected CH₃NO₂^-•Ar_n clusters 2001
Pump-probe polarization anisotropy study of doubly degenerate electronic reorientation in silicon naphthalocyanine 2001
Two-dimensional Fourier transform electronic spectroscopy 2001
Experimental distinction between phase shifts and time delays: Implications for femtosecond spectroscopy and coherent control of chemical reactions (vol 111, pg 10934, 1999) 2001
Reactions of methylamines at the Si(100)-2x1 surface 2001
Rotational-state and velocity-subgroup dependence of the rotational alignment of N-2(+) drifted in He 2001
Comparative dynamics of Cl(P-2) and O(P-3) interactions with a hydrocarbon surface (vol 112, pg 5975, 2000) 2001
Complete femtosecond linear free induction decay, Fourier algorithm for dispersion relations, and accuracy of the rotating wave approximation 2001
Normal and defective perylene substitution sites in alkane crystals 2001
Hydration of a structured excess charge distribution:: Infrared spectroscopy of the O₂^-•(H₂O)_n, (1≤n≤5) clusters 2001
Reaction dynamics of S(D-1)+H-2/D-2 on a new ab initio potential surface 2001
A theoretical study of the chemical vapor deposition of (100) diamond: An explanation for the slow growth of the (100) surface 2000
Aggregation of water molecules: Atmospheric implications 2000
The case for a reactive resonance in F+H₂ 2000
Laser probing of rotational-state-dependent velocity distributions of N-2(+) (nu('')=0,J) drifted in He 2000
Two-dimensional hard dumbbells. I. Fluctuating cell model 2000
Two-dimensional hard dumbbells. II. Pressure in terms of free volumes and surfaces 2000
Comparative dynamics of Cl(P-2) and O(P-3) interactions with a hydrocarbon surface 2000
Observation of a transition state resonance in the integral cross section of the F+HD reaction 2000
Kinetic and Monte Carlo models of thin film coarsening: Cross over from diffusion-coalescence to Ostwald growth modes 2000
Experimental distinction between phase shifts and time delays: Implications for femtosecond spectroscopy and coherent control of chemical reactions 1999
Effect of beam energy and surface temperature on the dissociative adsorption of H-2 on Si(001) 1999
Characterization of selective adsorption resonances for helium scattering from a highly corrugated surface using quantum wave packet dynamics 1999
Smoluchowski ripening of Ag islands on Ag(100) 1999
Diffusion and evaporation kinetics of large islands and vacancies on surfaces 1999
Geometric investigation of low-dimensional manifolds in systems approaching equilibrium 1999
Photodissociation and recombination of solvated I-2(-): What causes the transient absorption peak? 1999
Simulation of UV photodissociation of I-2(-)(CO2)(n): Spin-orbit quenching via solvent mediated electron transfer 1999
Photoelectron spectroscopy, gas phase acidity, and thermochemistry of tert-butyl hydroperoxide:: Mechanisms for the rearrangement of peroxyl radicals 1998
Solid-liquid equilibrium of dipolar heteronuclear hard dumbbells in a generalized van der Waals theory: Application to methyl chloride 1998
Nonadiabatic effects in the photodissociation of vibrationally excited HNCO:: The branching between singlet (a ¹Δ) and triplet (X ³Σ^-) NH 1998
Ultrafast reaction dynamics in cluster ions:: Simulation of the transient photoelectron spectrum of I₂^-Ar_n photodissociation 1998
Evaluating and improving the cluster variation method entropy functional for Ising alloys 1998
Surface and bulk diffusion of HDO on ultrathin single-crystal ice multilayers on Ru(001) 1998
Vibrational phase and energy relaxation of CN^- in water 1998
Raman spectroscopy of the N-C-O symmetric (nu(3)) and antisymmetric (nu(2)) stretch fundamentals in HNCO 1997
Structure and dynamics of molecular ions in clusters: I-2(-) in flexible CO2 1997
Initial state resolved electronic spectroscopy of HNCO: Stimulated Raman preparation of initial states and laser induced fluorescence detection of photofragments 1997
Structure and dynamics of the S-3 state of CS2 1997
Photodissociation of Cl2O at 248 and 308 nm 1997
Point-ion versus density functional calculations of electric field gradients in ordered GaInP2 1997
Raman spectroscopy of the nu(1) N-H stretch fundamental in isocyanic acid (HNCO): State mixing probed by photoacoustic spectroscopy and by photodissociation of vibrationally excited states 1997
The mobilities of ions and cluster ions drifting in polar gases 1997
Laser probing of velocity-subgroup dependent rotational alignment of N-2(+) drifted in He 1997
Mobility and formation kinetics of NH4+(NH3)(n) cluster ions (n=O-3) in helium and helium/ammonia mixtures 1997
A simple model of the HNCO ((1)A') excited state potential energy surface and a classical trajectory analysis of the vibrationally directed bond-selected photodissociation 1996
The mobilities of NO+(CH3CN)(n) cluster ions (n=0-3) drifting in helium and in helium-acetonitrile mixtures 1996
Alignment of D2(v, J) desorbed from Cu(111): Low sensitivity of activated dissociative chemisorption to approach geometry 1996
The HNCO heat of formation and the N-H and C-N bond enthalpies from initial state selected photodissociation 1996
Control of transition state spectra: Enhancement of diffuse structure in the photodissociation spectrum of CO2 1996
Vibrationally mediated photodissociation of isocyanic acid (HNCO): Preferential N-H bond fission by excitation of the reaction coordinate 1996
Time-dependent morphology changes in thin silver films on mica: A scaling analysis of atomic force microscopy results 1996
Vibrational enhancement of the charge transfer rate constant of N-2(+)(v=0-4) with Kr at thermal energies 1996
Surface diffusion of carbon monoxide and potassium coadsorbed on Ru(001): Confirmation of a 1:1 CO:K trapping interaction 1996
GaAs quantum structures: Comparison between direct pseudopotential and single-band truncated-crystal calculations 1996
Vibrational energy relaxation of HOD in liquid D2O 1996
VIBRATIONAL STATE CONTROLLED BOND-CLEAVAGE IN THE PHOTODISSOCIATION OF ISOCYANIC ACID (HNCO) 1995
VB RESONANCE THEORY IN SOLUTION .1. MULTISTATE FORMULATION 1995
VB RESONANCE THEORY IN SOLUTION .2. I-2(-)REVERSIBLE-ARROW-I+I- IN ACETONITRILE 1995
KINETIC AND THERMODYNAMIC PROPERTIES OF THE F+O-2 REACTION SYSTEM UNDER HIGH-PRESSURE AND LOW-TEMPERATURE CONDITIONS 1995
QUANTUM-STATE-SPECIFIC DYNAMICS OF THE DISSOCIATIVE ADSORPTION AND ASSOCIATIVE DESORPTION OF H-2 AT A CU(111) SURFACE 1995
PROTON-TRANSFER IN HYDROGEN-BONDED ACID-BASE COMPLEXES IN POLAR-SOLVENTS 1995
RECOMBINATION AND RELAXATION OF MOLECULAR-IONS IN SIZE-SELECTED CLUSTERS - MONTE-CARLO AND MOLECULAR-DYNAMICS SIMULATIONS OF I-2(-)-(CO2)(N) 1995
OVERTONE SPECTROSCOPY OF THE HYDROXYL STRETCH VIBRATION IN HYDROXYLAMINE (NH2OH) 1995
BARRIERS, THRESHOLDS, AND RESONANCES - SPECTRAL QUANTIZATION OF THE TRANSITION-STATE FOR THE COLLINEAR D+H-2 REACTION 1995
GAS-PHASE REACTIONS OF THE S-34 ANION WITH CS2, OCS, AND H2S AS A FUNCTION OF KINETIC-ENERGY 1994
TEXTURES AND PHASE-TRANSITIONS IN LANGMUIR MONOLAYERS OF FATTY-ACIDS - A COMPARATIVE BREWSTER-ANGLE MICROSCOPE AND POLARIZED FLUORESCENCE MICROSCOPE STUDY 1994
DOMAIN MORPHOLOGY IN A 2-DIMENSIONAL ANISOTROPIC MESOPHASE - CUSPS AND BOOJUM TEXTURES IN A LANGMUIR MONOLAYER 1994
HEAD-TAIL COMPETITION AND MODULATED STRUCTURES IN PLANAR SURFACTANT (LANGMUIR-BLODGETT) FILMS 1994
SOLVATION OF ELECTRONICALLY EXCITED I-2(-) 1994
XENON DIFFUSION ON A STEPPED PT(11,11,9) SURFACE 1994
SPECTRAL QUANTIZATION OF TRANSITION-STATE DYNAMICS FOR THE 3-DIMENSIONAL H+H2 REACTION 1994
COMMENT ON A THEORETICAL STOCHASTIC-MODEL FOR THE A+1/2B(2)-]O REACTION 1994
Primary and secondary dissociation pathways in the ultraviolet photolysis of Cl2O 1994
KINETICS AND DYNAMICS OF VIBRATIONALLY STATE-RESOLVED ION-MOLECULE REACTIONS - N-14(2)+ (V=1 AND 2) AND N-15(2)+(V=0, 1, AND 2) WITH N-14(2) 1994
DISTANCE DEPENDENCE OF ELECTRONIC-ENERGY TRANSFER BETWEEN DONOR AND ACCEPTOR ADLAYERS - P-TERPHENYL AND 9,10-DIPHENYLANTHRACENE 1994
SOLVING SCHRODINGERS EQUATION AROUND A DESIRED ENERGY - APPLICATION TO SILICON QUANTUM DOTS 1994
INTRAMOLECULAR VIBRATIONAL REDISTRIBUTION OF ENERGY IN THE STIMULATED-EMISSION PUMPING SPECTRUM OF ACETYLENE 1993
ELECTRONIC FRICTION AND ELECTRON-TRANSFER RATES AT METALLIC ELECTRODES 1993
SPECTRAL QUANTIZATION OF HIGH-ENERGY TRANSITION-STATE RESONANCES IN THE H+H-2 REACTION 1993
THE REACTIONS OF O((1)D) WITH CH4 AND C3H8 MONOMERS AND CLUSTERS 1993
FEMTOSECOND WAVE-PACKET AND CHEMICAL-REACTION DYNAMICS OF IODINE IN SOLUTION - TUNABLE PROBE STUDY OF MOTION ALONG THE REACTION COORDINATE 1993
ANGULAR-MOMENTUM REORIENTATION IN CO(A1-PI)-HE ROTATIONAL ENERGY-TRANSFER STUDIED BY OPTICAL OPTICAL DOUBLE-RESONANCE MULTIPHOTON IONIZATION SPECTROSCOPY 1993
SINGLE-FREQUENCY LASER PROBING OF VELOCITY COMPONENT CORRELATIONS AND TRANSPORT-PROPERTIES OF BA+ DRIFTING IN AR 1993
HIGH-ENERGY TRANSITION-STATE RESONANCES IN THE H+H2 REACTION 1993
SURFACE-DIFFUSION OF XENON ON PT(111) 1993
EFFECT OF ROTATION ON THE TRANSLATIONAL AND VIBRATIONAL-ENERGY DEPENDENCE OF THE DISSOCIATIVE ADSORPTION OF D(2) ON CU(111) 1993
ADSORPTION-KINETICS FOR ETHYLSILANE, DIETHYLSILANE, AND DIETHYLGERMANE ON SI(111) 7X7 1993
DIRECT OBSERVATION OF THE SIMULTANEOUS TRANSFER OF VIBRATIONAL-ENERGY AND CHARGE IN THE N-15(2)+(V)+N-14(2) REACTION 1993
PHYSICAL ORIGIN OF OSCILLATIONS IN THE 3-DIMENSIONAL COLLISION AMPLITUDES OF HEAVY LIGHT HEAVY SYSTEMS - SEMICLASSICAL QUANTIZATION OF CHAOTIC SCATTERING 1993
ROTATIONALLY RESOLVED ULTRAVIOLET ULTRAVIOLET DOUBLE-RESONANCE STUDY OF THE NONPLANAR (E)OVER-TELDE STATE OF ACETYLENE 1992
CORRECTION 1992
AXIS-SWITCHING TRANSITIONS AND THE STIMULATED-EMISSION PUMPING SPECTRUM OF HCN 1992
INTRAMOLECULAR VIBRATIONAL-RELAXATION AND FORBIDDEN TRANSITIONS IN THE SEP SPECTRUM OF ACETYLENE 1992
HIGH-RESOLUTION VACUUM ULTRAVIOLET STARK MEASUREMENT OF THE DIPOLE-MOMENT OF (A)TILDE1A''HCN 1992
EXPERIMENTAL DISTINCTION OF ELECTRIC AND MAGNETIC TRANSITION MOMENTS 1992
EQUILIBRIUM AND NONEQUILIBRIUM SOLVATION AND SOLUTE ELECTRONIC-STRUCTURE .3. QUANTUM-THEORY 1992
VIBRATIONAL-RELAXATION OF A DIPOLAR MOLECULE IN WATER 1992
REENTRANT APPEARANCE OF PHASES IN A RELAXED LANGMUIR MONOLAYER OF TETRACOSANOIC ACID AS DETERMINED BY X-RAY-SCATTERING 1992
ANISOTROPIC DIFFUSION OF NORMAL-BUTANE ON A STEPPED RU(001) SURFACE 1992
EFFECT OF ENHANCED COLLISION ENERGY ON PRODUCT VIBRATIONAL-EXCITATION FOR THE PROTON-TRANSFER REACTION - O- + HF-]F- + OH(V = 0,1) 1992
FINE-STRUCTURE SELECTIVE COLLISIONAL ENERGY-TRANSFER IN SPHERICAL TOP MOLECULES - EVIDENCE FOR A SYMMETRY-BASED MECHANISM FROM ROVIBRATIONAL EIGENFUNCTIONS 1991
ADSORPTION, DESORPTION, AND SURFACE-DIFFUSION KINETICS OF NH3 ON MGO(100) 1991
ADIABATIC SEPARATRIX CROSSING THEORY FOR HEAVY-LIGHT-HEAVY CHEMICAL-REACTIONS IN 3 DIMENSIONS 1991
QUANTUM RESONANCE DYNAMICS FOR THE I+HI REACTION IN 3 DIMENSIONS - AN ADIABATIC TREATMENT USING JACOBI COORDINATES 1991
VIBRATIONALLY HIGHLY EXCITED ACETYLENE AS STUDIED BY DISPERSED FLUORESCENCE AND STIMULATED-EMISSION PUMPING SPECTROSCOPY - VIBRATIONAL ASSIGNMENT OF THE FEATURE STATES 1991
MOLECULAR-DYNAMICS OF A MODEL SN1 REACTION IN WATER 1991
MULTIPLICITY DEPENDENCE OF MATRIX-INDUCED FREQUENCY-SHIFTS FOR ATOMIC TRANSITIONS OF THE GROUP 12 METALS IN RARE-GAS SOLIDS 1991
LASER-INDUCED FLUORESCENCE MEASUREMENTS OF ROTATIONALLY RESOLVED VELOCITY DISTRIBUTIONS FOR CO+ DRIFTED IN HE 1991
A CRITICAL-EXAMINATION OF DATA ON THE DISSOCIATIVE ADSORPTION AND ASSOCIATIVE DESORPTION OF HYDROGEN AT COPPER SURFACES 1991
DYNAMICS OF RECOMBINATIVE DESORPTION - ANGULAR-DISTRIBUTIONS OF H-2, HD, AND D2 DESORBING FROM CU(111) 1991
SOLVATION DYNAMICS FOR AN ION-PAIR IN A POLAR-SOLVENT - TIME-DEPENDENT FLUORESCENCE AND PHOTOCHEMICAL CHARGE-TRANSFER 1991
MOLECULAR-DYNAMICS SIMULATION FOR A MODEL NONADIABATIC PROTON-TRANSFER REACTION IN SOLUTION 1991
SURFACE-DIFFUSION AND DESORPTION-KINETICS FOR PERFLUORO-NORMAL-BUTANE ON RU(001) 1991
Stabilities and structures of gas phase MgO clusters 1991
THE DIRECT NEAR ULTRAVIOLET-ABSORPTION SPECTRUM OF THE A2A2[-X2B1 TRANSITION OF JET-COOLED CHLORINE DIOXIDE 1991
THE PHOTOCHEMICAL DYNAMICS OF THE A2A2 STATE OF CHLORINE DIOXIDE 1991
2+1 RESONANTLY ENHANCED MULTIPHOTON IONIZATION OF CO VIA THE E1-PI-X1-SIGMA+ TRANSITION - FROM MEASURED ION SIGNALS TO QUANTITATIVE POPULATION-DISTRIBUTIONS 1990
A SYMMETRY-BASED MODEL FOR SELECTIVE ROTATIONAL ENERGY-TRANSFER IN COLLISIONS OF SPHERICAL TOP MOLECULES 1990
CHARACTERIZATION AND PHOTOCURRENT SPECTROSCOPY OF SINGLE QUANTUM-WELLS 1990
DYNAMICS OF ION-PAIR INTERCONVERSION IN A POLAR-SOLVENT 1990
EQUILIBRIUM AND NONEQUILIBRIUM SOLVATION AND SOLUTE ELECTRONIC-STRUCTURE .1. FORMULATION 1990
EQUILIBRIUM AND NONEQUILIBRIUM SOLVATION AND SOLUTE ELECTRONIC-STRUCTURE .2. STRONG COUPLING LIMIT 1990
LASER-INDUCED FLUORESCENCE MEASUREMENTS OF DRIFT-VELOCITY DISTRIBUTIONS FOR BA+ IN AR - MOMENT ANALYSIS AND A DIRECT MEASURE OF SKEWNESS 1990
ADSORPTION AND DESORPTION-KINETICS FOR SICL4 ON SI(111)7X7 1990
FLUORESCENCE QUENCHING OF THE PHENANTHRENE EXCIMER ON AL2O3(0001) - COVERAGE AND DISTANCE DEPENDENCE 1990
SURFACE-DIFFUSION OF NORMAL-ALKANES ON RU(001) 1990
CO DESORPTION-KINETICS FROM CLEAN AND SULFUR-COVERED RU(001) SURFACES 1990
MOLECULAR-BEAM STUDIES OF THE PHOTODISSOCIATION OF BENZENE AT 193 AND 248 NM 1990
X-RAY STRUCTURAL STUDIES OF FREELY SUSPENDED ORDERED HYDRATED DMPC MULTIMEMBRANE FILMS 1990
HIGH-RESOLUTION VACUUM ULTRAVIOLET FLUORESCENCE EXCITATION SPECTRUM AND PREDISSOCIATION OF A1A''HCN 1990
REACTIONS OF O-+N2O AT 300-K - THE TOTALLY LABELED EXPERIMENTS 1990
X-RAY REFLECTIVITY ON PERFLUOROPOLYETHER POLYMER-MOLECULES ON AMORPHOUS-CARBON 1990
PHOTODISSOCIATION OF 2-BROMOETHANOL AND 2-CHLOROETHANOL AT 193 NM 1990
CORIOLIS-INDUCED VIBRATIONAL-ENERGY TRANSFER IN D2CO-D2CO COLLISIONS .2. A SEMICLASSICAL SUDDEN APPROXIMATION 1990
DESORPTION-KINETICS AND EXCIMER FORMATION OF PYRENE ON AL2O3(1120) 1989
RAMAN-SCATTERING FROM FREELY SUSPENDED LIQUID-CRYSTAL FILMS 1989
DISSOCIATION OF CYCLOHEXENE AND 1,4-CYCLOHEXADIENE IN A MOLECULAR-BEAM 1989
HIGH-RESOLUTION SPECTROSCOPIC DETECTION OF ACETYLENE-VINYLIDENE ISOMERIZATION BY SPECTRAL CROSS-CORRELATION 1989
CORIOLIS-INDUCED VIBRATIONAL-ENERGY TRANSFER IN D2CO-D2CO COLLISIONS - A CLASSICAL PERSPECTIVE 1989
UNIFORM ADIABATIC INVARIANCE-ANALYSIS OF CHEMICAL-REACTION DYNAMICS 1989
Ultraviolet photodissociation and thermochemistry of CH2BrCH2I, CF2BrCF2I, and CF2ICF2I 1989
A CONCERTED TRIPLE DISSOCIATION - THE PHOTOCHEMISTRY OF S-TETRAZINE 1989
SPIN STATISTICS - AN ERROR IN LANDAU AND LIFSCHITZ QUANTUM-MECHANICS 1989
NONEQUILIBRIUM SOLVATION EFFECTS ON REACTION-RATES FOR MODEL SN2 REACTIONS IN WATER 1989
INFRARED RESONANT DESORPTION OF BUTANE FROM AL2O3(1120) - EVIDENCE FOR AN ORDERED ADLAYER FROM VIBRATIONAL-MODE SELECTIVITY 1989
High resolution infrared laser induced fluorescence study of state mixing in methyl formate 1988
EFFECTS OF COADSORBED CARBON-MONOXIDE ON THE SURFACE-DIFFUSION OF HYDROGEN ON RU(001) 1988
LASER PROBING OF ION VELOCITY DISTRIBUTIONS IN DRIFT FIELDS - PARALLEL AND PERPENDICULAR TEMPERATURES AND MOBILITY FOR BA-(+) IN HE 1988
Rovibrational state mixing in the aldehyde C–H stretch fundamental region of acetaldehyde 1988
DESORPTION-KINETICS OF HYDROGEN AND DEUTERIUM FROM SI(111) 7X7 STUDIED USING LASER-INDUCED THERMAL-DESORPTION 1988
CLASSICAL QUANTUM CORRESPONDENCE IN VIBRATIONAL-ENERGY RELAXATION OF NONLINEAR-SYSTEMS 1988
SURFACE CROSSINGS AND PREDISSOCIATION DYNAMICS OF METHYL-IODIDE RYDBERG STATES 1988
SOLUTION REACTION-PATH HAMILTONIAN FOR REACTIONS IN POLAR-SOLVENTS .1. FORMULATION 1988
SOLUTION REACTION-PATH HAMILTONIAN FOR REACTIONS IN POLAR-SOLVENTS .2. APPLICATIONS 1988
THE EQUILIBRIUM-CONSTANT FOR N2O5-REVERSIBLE-NO2+NO-3 - ABSOLUTE DETERMINATION BY DIRECT MEASUREMENT FROM 243-K TO 397-K 1988
MONTE-CARLO STUDIES OF DIFFUSION ON INHOMOGENEOUS SURFACES 1988
MULTIPHOTON IONIZATION STUDY OF INTRAMOLECULAR AND INTERMOLECULAR EFFECTS ON THE PHOTODISSOCIATION OF METHYL-IODIDE 1988
A DYNAMICAL THEORY OF UNIMOLECULAR IONIC DISSOCIATION REACTIONS IN POLAR-SOLVENTS 1988
A PHASE-SPACE ANALYSIS OF THE COLLINEAR I+HI REACTION 1988
Rovibrational state mixing in the C–H stretch fundamental region of norbornadiene 1988
INFRARED MULTIPHOTON DISSOCIATION OF RDX IN A MOLECULAR-BEAM 1988
DIRECT OBSERVATION OF BA+ VELOCITY DISTRIBUTIONS IN A DRIFT TUBE USING SINGLE-FREQUENCY LASER-INDUCED FLUORESCENCE 1987
ULTRAVIOLET-ABSORPTION SPECTROSCOPY OF DISSOCIATING MOLECULES - EFFECTS OF CLUSTER FORMATION ON THE PHOTODISSOCIATION OF CH3I 1987
SURFACE-DIFFUSION OF HYDROGEN ON CARBON-COVERED RU(001) SURFACES STUDIED USING LASER-INDUCED THERMAL-DESORPTION 1987
THE DECOMPOSITION OF METHANOL ON RU(001) STUDIED USING LASER-INDUCED THERMAL-DESORPTION 1987
DENSITY FLUCTUATION DYNAMICS IN A SCREENED COULOMB COLLOID - COMPARISON OF THE LIQUID AND BCC CRYSTAL PHASES 1987
DISSOCIATION OF NH3 TO NH2+H 1987
THE ULTRAVIOLET-ABSORPTION SPECTRUM OF THE A-1A2'']-X1A1' TRANSITION OF JET-COOLED AMMONIA 1987
THEORETICAL A-1A2''-X1A1 ABSORPTION AND EMISSION-SPECTRUM OF AMMONIA 1987
Photodissociation of CF2BrCH2I at 248, 266, and 308 nm 1987
THE ELECTRONIC STATE-SELECTIVE PHOTODISSOCIATION OF CH2BRL AT 248, 210, AND 193 NM 1987
MOLECULAR-DYNAMICS OF A MODEL SN2 REACTION IN WATER 1987
NONADIABATIC SOLVATION MODEL FOR SN2 REACTIONS IN POLAR-SOLVENTS 1987
CLASSICAL DYNAMICS OF INTRAMOLECULAR ENERGY-FLOW AND OVERTONE-INDUCED DISSOCIATION IN HO2H AND HO2D 1986
MOLECULAR-DYNAMICS OF THE A+BC REACTION IN RARE-GAS SOLUTION 1986
STUDIES OF THE REACTION OF O2+ WITH DEUTERATED METHANES 1986
THE ADIABATIC SWITCHING OF SEMICLASSICAL WAVE-FUNCTIONS 1986
SURFACE-DIFFUSION OF HYDROGEN ON RU(001) STUDIED USING LASER-INDUCED THERMAL-DESORPTION 1986
BRANCHING RATIOS FOR ELECTRONICALLY EXCITED OXYGEN-ATOMS FORMED IN THE REACTION OF N+ WITH O2 AT 300-K 1986
NEUTRON-SCATTERING FROM CHARGE STABILIZED SUSPENSIONS UNDERGOING SHEAR 1986
ON THE USE OF ADIABATIC SWITCHING TO LOCATE QUANTIZED, PERIODIC-ORBITS - APPLICATION TO BOUND AND REACTIVE MULTIDIMENSIONAL PROBLEMS 1986
PROBABILITY OSCILLATIONS IN SINGLE PASS CURVE CROSSINGS - SEMICLASSICAL PREDICTIONS OF NONMONOTONIC DEPENDENCE ON CROSSING VELOCITY 1986
THE OBSERVATION OF CH3O IN THE COLLISION-FREE MULTIPHOTON DISSOCIATION OF CH3NO2 1986
FLOWING AFTERGLOW INFRARED CHEMI-LUMINESCENCE STUDIES OF VIBRATIONAL-ENERGY DISPOSAL IN THE ION MOLECULE REACTIONS F-+HBR,DBR-]HF,DF+BR- 1985
PRODUCT VIBRATIONAL-STATE DISTRIBUTIONS OF THERMAL-ENERGY CHARGE-TRANSFER REACTIONS DETERMINED BY LASER-INDUCED FLUORESCENCE - N++CO-]CO+(V=0-2)+N 1985
PRODUCT VIBRATIONAL-STATE DISTRIBUTIONS OF THERMAL-ENERGY CHARGE-TRANSFER REACTIONS DETERMINED BY LASER-INDUCED FLUORESCENCE IN A FLOWING AFTERGLOW AR+ + CO-]CO+(V=0-6) + AR 1985
THE DIRECT ULTRAVIOLET-ABSORPTION SPECTRUM OF THE 1-SIGMA-G+ -] 1B2(1-SIGMA-U+) TRANSITION OF JET-COOLED (C3252)-C-13 AND (C34S2)-C-12 1985
THE PHOTOELECTRON SPECTROSCOPY OF HO-2 1985
THE SEMICLASSICAL QUANTIZATION OF NONSEPARABLE SYSTEMS USING THE METHOD OF ADIABATIC SWITCHING 1985
THE SINGLET-STATES OF STYRENE - THEORETICAL VIBRATIONAL ANALYSIS OF THE ULTRAVIOLET-SPECTRUM 1985
Photodissociation of 1,2-chloroiodoethane at 248 and 266 nm: The enthalpy of formation of CH2ClCH2I 1984
Calculation of partial widths and isotope effects for reactive resonances by a reaction-path Hamiltonian model: Test against accurate quantal results for a twin-saddle point system 1984
Localized Gaussian wave packet methods for inelastic collisions involving anharmonic oscillators 1984
BOND-ENERGIES OF THE MOLECULES H2O, SO2, H2O2, AND HCL TO VARIOUS ATMOSPHERIC NEGATIVE-IONS 1984
CLASSICAL DYNAMICS OF HIGHLY EXCITED CH AND CD OVERTONES IN BENZENE AND PERDEUTEROBENZENE 1984
COMPETITIVE REACTION AND QUENCHING OF VIBRATIONALLY EXCITED O-2+ IONS WITH SO2, CH4, AND H2O 1984
DIRECT ABSORPTION-SPECTROSCOPY OF JET-COOLED POLYENES .1. THE 1 1BU+[-1 1AG- TRANSITION OF TRANS, TRANS-1,3,5,7-OCTATETRAENE 1984
DIRECT ABSORPTION-SPECTROSCOPY OF JET-COOLED POLYENES .2. THE 1 1BU+[-1 1AG- TRANSITIONS OF BUTADIENES AND HEXATRIENES 1984
FLOWING AFTERGLOW STUDIES OF THE ELECTRON-AFFINITY OF SO2 1984
INTRAMOLECULAR VIBRATIONAL-RELAXATION AND SPECTRA OF CH AND CD OVERTONES IN BENZENE AND PERDEUTEROBENZENE 1984
PICOSECOND STUDIES OF THE TEMPERATURE-DEPENDENCE OF HOMOGENEOUS AND INHOMOGENEOUS VIBRATIONAL LINEWIDTH BROADENING IN LIQUID ACETONITRILE 1984
QUANTUM DYNAMICS OF ENERGY-TRANSFER BETWEEN BONDS IN COUPLED MORSE OSCILLATOR-SYSTEMS 1984
TEMPERATURE-DEPENDENCE OF THE 3-BODY ASSOCIATION OF CL-, NO2-, AND NO3- WITH SO2 1984
VIBRATIONAL-ENERGY DISPOSAL IN POLYATOMIC ION-MOLECULE REACTIONS - SF6-+H,D-]SF5-+ HF(V), DF(V) 1984
COLLISIONAL RELAXATION OF VIBRATIONALLY EXCITED O2+ IONS 1983
ENERGY-DEPENDENCE OF THE O- TRANSFER-REACTIONS OF O-3- AND CO3- WITH NO AND SO2 1983
FRANCK-CONDON ANALYSIS OF THE 1 1AG--]1 1BU+ TRANSITION OF 1,3-BUTADIENE FROM ABSORPTION AND RAMAN INTENSITIES 1983
LASER-INDUCED FLUORESCENCE STUDIES OF ION COLLISIONAL EXCITATION IN A DRIFT FIELD - ROTATIONAL-EXCITATION OF N-2+ IN HELIUM 1983
LIQUID STRUCTURE UNDER SHEAR - COMPARISON BETWEEN COMPUTER-SIMULATIONS AND COLLOIDAL SUSPENSIONS 1983
NON-EQUILIBRIUM SOLVATION DYNAMICS IN SOLUTION REACTIONS 1983
NON-LINEAR RESONANCES AND VIBRATIONAL-ENERGY FLOW IN MODEL HYDROCARBON CHAINS 1983
PHOTOELECTRON-SPECTROSCOPY OF HNO- AND DNO- 1983
THE DIRECT ULTRAVIOLET-ABSORPTION SPECTRUM OF THE 1-SIGMA-G+-]1B2(1-SIGMA-U+) TRANSITION OF JET-COOLED CS2 1983
CLASSICAL DYNAMICS OF ENERGY-TRANSFER BETWEEN BONDS IN ABA TRIATOMICS 1982
DEPENDENCE OF INHOMOGENEOUS VIBRATIONAL LINEWIDTH BROADENING ON ATTRACTIVE FORCES FROM LOCAL LIQUID NUMBER DENSITIES 1982
DYNAMICAL POLAR-SOLVENT EFFECTS ON SOLUTION REACTIONS - A SIMPLE CONTINUUM MODEL 1982
ENERGY DIFFUSION-CONTROLLED REACTIONS IN SOLUTION 1982
EVIDENCE OF A STATE DEPENDENT DEPLETION PROCESS IN THE 2-PHOTON FLUORESCENCE EXCITATION-SPECTRA OF SATURATED AMINES 1982
HYDRODYNAMIC INTERACTION EFFECTS ON ISOMERIZATION RATES IN CHAIN MOLECULES 1982
QUANTUM-MECHANICS OF LOCAL MODE ABA TRIATOMIC-MOLECULES 1982
REACTION-RATE CONSTANTS FOR O-2(H2O)0 IONS TO 4, WITH O-3 NO,SO2, AND CO2 1982
REACTIONS BETWEEN NEUTRALS CLUSTERED ON IONS 1982
REACTIVE PATHS IN THE DIFFUSION LIMIT 1982
SLOW VIBRATIONAL-RELAXATION IN PICOSECOND IODINE RECOMBINATION IN LIQUIDS 1982
VIBRATIONAL-ENERGY TRANSFER FROM HIGHLY EXCITED ANHARMONIC-OSCILLATORS - DEPENDENCE ON QUANTUM STATE AND INTERACTION POTENTIAL 1982
A CONTINUUM THEORY FOR QUADRUPOLE RELAXATION OF IONS IN SOLUTION 1981
DIRECT ABSORPTION-SPECTRA OF HIGHER EXCITED-STATES OF JET-COOLED MONOSUBSTITUTED BENZENES - PHENYLACETYLENE, STYRENE, BENZALDEHYDE, AND ACETOPHENONE 1981
DYNAMICS OF FREELY SUSPENDED IYOTROPIC FILMS .1. AN INELASTIC LIGHT-SCATTERING STUDY OF THERMAL SURFACE FLUCTUATIONS 1981
EFFECTS OF NON-RESONANT IONIZATION ON MULTI-PHOTON IONIZATION LINE-SHAPES 1981
ENERGY-DEPENDENCE OF THE RATE-CONSTANT OF THE REACTION N(+)+NO AT COLLISION ENERGIES 0.04 TO 2.5 EV 1981
FLOWING AFTERFLOW STUDIES OF GAS-PHASE MAGNESIUM-ION CHEMISTRY 1981
GAS-PHASE MULTI-PHOTON PHOTO-DISSOCIATION OF MN2(CO)10 - THE EFFECT OF COLLISIONS ON PHOTOFRAGMENTATION 1981
LASER PHOTOELECTRON-SPECTROSCOPY OF CH-2, AND THE SINGLET-TRIPLET SPLITTING IN METHYLENE 1981
MOBILITIES OF N+ IONS IN HELIUM AND ARGON 1981
PSEUDOPOTENTIAL AND ALL-ELECTRON ATOMIC CORE SIZE SCALES 1981
RATE CONSTANTS FOR THE COLLISIONAL DISSOCIATION OF N2O5 BY N-2 1981
REACTIONS OF SI+ WITH H2O AND O-2 AND SIO+ WITH H-2 AND D-2 1981
REACTIVE MODES IN CONDENSED PHASE REACTIONS 1981
SADDLE-POINT MODEL FOR ATOM TRANSFER-REACTIONS IN SOLUTION 1981
THE PRODUCTION OF O(3P) AND GROUND-STATE OH IN THE REACTION OF HYDROGEN-ATOMS WITH OZONE 1981
VIBRATIONAL PRODUCT STATES FROM REACTIONS OF CN- WITH THE HYDROGEN HALIDES AND HYDROGEN-ATOMS 1981
The rotational spectra of weakly bound dimers of carbon monoxide and the hydrogen halides HX (X=F, Cl, and Br) 1980
Rotational spectra and molecular structures of ArHBr and KrHBr 1980
COMPARISON BETWEEN FINITE-ELEMENT METHODS AND SPECTRAL METHODS AS APPLIED TO BOUND-STATE PROBLEMS 1980
ELECTRONIC-SPECTRA OF BUTADIENE AND ITS METHYL-DERIVATIVES - A MULTI-PHOTON IONIZATION STUDY 1980
INHOMOGENEOUS BROADENING OF VIBRATIONAL LINEWIDTHS IN POLYATOMIC LIQUIDS 1980
KINETIC-ENERGY DEPENDENCE OF THE BRANCHING RATIOS OF THE REACTION OF N+ IONS WITH O-2 1980
RATE CONSTANTS FOR THE REACTIONS OF METASTABLE O+STAR IONS WITH N2 AND O2 AT COLLISION ENERGIES 0.04 TO 0.2 EV AND THE MOBILITIES OF THESE IONS AT 300-K 1980
STOCHASTIC TRAJECTORY SIMULATION OF IODINE RECOMBINATION IN LIQUIDS 1980
THE STABLE STATES PICTURE OF CHEMICAL-REACTIONS .1. FORMULATION FOR RATE CONSTANTS AND INITIAL CONDITION EFFECTS 1980
THE STABLE STATES PICTURE OF CHEMICAL-REACTIONS .2. RATE CONSTANTS FOR CONDENSED AND GAS-PHASE REACTION MODELS 1980
VIBRATIONAL PRODUCT STATE DISTRIBUTIONS OF ION-MOLECULE REACTIONS BY INFRARED CHEMI-LUMINESCENCE - CL-+HBR,HL-]HCL(V)+BR-,L- 1980
KINETIC-ENERGY RELAXATION OF A TEST PARTICLE IN A DENSE FLUID 1979
MEASUREMENTS OF THE BRANCHING RATIOS FOR THE REACTION OF O(1D2) WITH N2O 1979
MOBILITIES OF C+, S+, AND F- IONS IN HELIUM 1979
MOLECULAR THEORY OF TRANSLATIONAL DIFFUSION - MICROSCOPIC GENERALIZATION OF THE NORMAL VELOCITY BOUNDARY-CONDITION 1979
OBSERVATION OF SATURATION IN 3-BODY ION-NEUTRAL ASSOCIATION REACTIONS - COMMENTS 1979
PRODUCT RATIOS OF THE REACTIONS OF AR+ WITH NO AND NO+(A3SIGMA+) WITH AR AT 300 K 1979
PRODUCTION OF NO+(A3SIGMA+) IONS IN THE REACTION OF N+ IONS WITH O-2 AT 300 K 1979
RATE CONSTANTS FOR THE REACTION OF O2+(A4-PI-U) IONS WITH CH4 AT RELATIVE KINETIC ENERGIES 0.04-1.2EV 1979
RATE CONSTANTS FOR THE REACTIONS OF METASTABLE NO+ (A3SIGMA+) IONS WITH SO2, CO2, CH4, N-2, AR, H-2, D-2, AND O-2 AT RELATIVE KINETIC ENERGIES 0.04-2.5 EV 1979
REACTIONS OF KR2+, XE2+, AND C2+ WITH ATOMS AND MOLECULES AT 300 K 1979
REACTIONS OF S+(4S DEGREES-) IONS WITH O2 AND NO AT RELATIVE KINETIC ENERGIES FROM 0.04 TO 2 EV 1979
SHORT-RANGE CAGING EFFECTS FOR REACTIONS IN SOLUTION .1. REACTION-RATE CONSTANTS AND SHORT-RANGE CAGING PICTURE 1979
SHORT-RANGE CAGING EFFECTS FOR REACTIONS IN SOLUTION .2. ESCAPE PROBABILITY AND TIME-DEPENDENT REACTIVITY 1979
TUNABLE DIODE-LASER STUDY OF THE REACTIONS OF NITRIC AND NITROUS ACIDS - HNO3+NO AND HNO2+O3 1979
COUPLING OF TRANSLATIONAL AND REACTIVE DYNAMICS FOR A FOKKER-PLANCK MODEL 1978
ENERGY-DEPENDENCE OF REACTION OF O+2 WITH CH4 1978
INITIAL CONDITION EFFECTS FOR DIFFUSIVE BARRIER CROSSING 1978
LASER PHOTODETACHMENT ELECTRON SPECTROMETRY OF METHOXIDE, DEUTEROMETHOXIDE, AND THIOMETHOXIDE - ELECTRON AFFINITES AND VIBRATIONAL STRUCTURE OF CH3O, CD3O, AND CH3S 1978
MOLECULAR ROTATION AND REORIENTATION - MICROSCOPIC AND HYDRODYNAMIC CONTRIBUTIONS 1978
RATE CONSTANTS FOR REACTIONS OF O-,O2-,NO2-,CO3-, AND CO4- WITH HCL AND CLO- WITH NO,NO2,SO2, AND CO2 AT 300-K 1978
RATE CONSTANTS FOR REACTIONS OF O2+, NO2+, NO+, H3O+, CO3-, NO2-, AND HALIDE IONS WITH N2O5 AT 300 K 1978
REACTIONS OF N-4+ WITH O2, CO2, H-2, AND D2 AND MOBILITIES OF N-4+ IN NITROGEN 1978
REACTIVE DYNAMICS FOR DIFFUSIVE BARRIER CROSSING 1978
DETERMINATION OF ABSOLUTE PHOTON YIELDS UNDER SINGLE-COLLISION CONDITIONS 1977
EFFECTS OF ION SPEED DISTRIBUTIONS IN FLOW-DRIFT TUBE STUDIES OF ION-NEUTRAL REACTIONS 1977
INTERMOLECULAR MIXING OF ELECTRONIC STATES IN CHEMICALLY MIXED MOLECULAR-CRYSTALS 1977
MICROSCOPIC BOUNDARY-LAYER EFFECTS AND ROUGH SPHERE ROTATION 1977
MOBILITIES OF F-, CL-, BR-, AND I- IONS IN HE 1977
PHONON ASSISTED TRAP-TRAP TRIPLET ENERGY MIGRATION IN ODEGREESK LIMIT IN CRYSTALLINE BENZENE 1977
POLARIZED RAMAN-SCATTERING STUDIES OF ORIENTATIONAL ORDER IN UNIAXIAL LIQUID-CRYSTALLINE PHASES 1977
Quantum vibrational transition probabilities from real classical trajectories: Symmetric diatom–diatom collisions 1977
SINGLET AND TRIPLET EXCITON PERCOLATION IN BENZENE ISOTOPIC MIXED-CRYSTALS 1977
STUDY OF REACTION O-3+CO2 REVERSIBLE CO-3+O2 AND ITS IMPLICATION ON THERMOCHEMISTRY OF CO3 AND O3 AND THEIR NEGATIVE-IONS 1977
VIBRATIONAL CHEMILUMINESCENCE FROM ION-MOLECULE REACTIONS - O-+CO-]CO-2+E- 1977
On the use of the sudden approximation for vibrational excitation in high-energy collisions, and the sensitivity of the results to the choice of potential energy surface 1976
Flowing afterglow studies of hydronium ion clustering including diffusion effects 1976
COMPARISON OF ENERGY DEPENDENCES AND BRANCHING RATIOS OF REACTIONS OF AR(+) AND N-2(+) WITH SO-2 1976
DETERMINATION OF PROTON AFFINITY FROM KINETICS OF PROTON-TRANSFER REACTIONS .6. RELATIVE PROTON AFFINITIES OF N2, XE, AND CO2 1976
EXPONENTIAL TIME DECAY IN RELAXATION 1976
REACTIONS OF ATMOSPHERIC NEGATIVE-IONS WITH N-2O 1976
RESOLVED EMISSION FROM COMPOUND STATES IN CHEMICALLY MIXED CRYSTALS 1976
Quantum vibrational transition probabilities from real classical trajectories: Collinear atom–diatom collisions 1975
BAND-STRUCTURE OF ONE-DIMENSIONAL METALLIC (SN)X CRYSTAL 1975
BAND-STRUCTURE, CRYSTAL CONFORMATION, AND HYDROGEN-BOND POTENTIALS FOR SOLID HF 1975
CALCULATION OF STRUCTURAL-PROPERTIES AND VIBRATIONAL FREQUENCIES OF ALPHA-CRYSTALS AND GAMMA-N2 CRYSTALS 1975
ENERGY-DEPENDENCE OF REACTION NH+-3 + H2 -] NH+-4 + H 1975
ENERGY-DEPENDENCE OF REACTION OF HE+ WITH NH3 1975
FLOW-DRIFT TUBE MEASUREMENTS OF H2O2+ REACTIONS WITH H2O, NH3, NO, AND CO AND CHARGE-TRANSFER OF O2+ WITH H2O2 1975
FLOW-DRIFT TUBE MEASUREMENTS OF KINETIC-ENERGY DEPENDENCES OF SOME EXOTHERMIC PROTON-TRANSFER RATE CONSTANTS 1975
GAS-PHASE ION CHEMISTRY OF HNO3 1975
INELASTIC LIGHT-SCATTERING FROM ISOTROPIC MBBA 1975
NONLINEAR FLUCTUATIONS IN MASTER EQUATION SYSTEMS .1. VELOCITY CORRELATION-FUNCTION FOR RAYLEIGH MODEL 1975
RATE CONSTANTS FOR REACTIONS OF O2+[A PI-4(U)] IONS WITH N2, AR, CO2, AND O2 AT RELATIVE KINETIC ENERGIES O.O4-2 EV 1975
REACTION OF CO-3, NO-3, AND CO-4 WITH ATOMIC-HYDROGEN 1975
REACTIONS OF O- WITH N2, N2O, SO2, NH3, CH4, AND C2H4 AND C2H2- WITH O2 FROM 300 DEGREESK TO RELATIVE KINETIC ENERGIES OF APPROXIMATELY 2 EV 1975
SMALL PERIODIC CLUSTER CALCULATION ON POINT-DEFECT PROBLEMS IN HEXAGONAL LAYERED SOLIDS 1975
STUDY OF ISOENERGETIC REACTION H+3+O2REVERSIBLEO2H++H2 1975
TRANSLATIONAL AND INTERNAL ENERGY DEPENDENCES OF SOME ION-NEUTRAL REACTIONS 1975
LASER PHOTODETACHMENT DETERMINATION OF ELECTRON AFFINITIES OF OH, NH2, NH, SO2, AND S2 1974
Transient initial condition effects for Brownian particle motion 1973
On Hydrodynamic Models for Brownian Motion 1972
Kinetics and Mechanism of the Formation of Water Cluster Ions from O2+ and H2O 1972
NONLINEAR BEHAVIOR OF SOLUTIONS ILLUMINATED BY A RUBY-LASER 1972
MEASUREMENT OF ROTATIONAL DIFFUSION COEFFICIENT OF LYSOZYME BY DEPOLARIZED LIGHT SCATTERING - CONFIGURATION OF LYSOZYME IN SOLUTION 1971
Generalized Linear Trajectory Approximations and the Constant Acceleration Approximation 1970
Quantum Corrections to the Momentum Relaxation Time of a Brownian Particle 1969
Light Scattering from Chemically Reacting Mixtures 1968
Quantum Corrections to Time Correlation Functions 1968
ANGULAR DEPENDENCE OF LASER PHOTODETACHMENT OF NEGATIVE IONS OF CARBON OXYGEN AND HYDROGEN 1968
PARAMAGNETIC AND ELECTRIC QUADRUPOLE HYPERFINE INTERACTIONS OF FERRIC IONS IN ICE AND FECL3.6H2O 1968
MOSSBAUER RESONANCE STUDIES OF FERROUS IONS IN ICE 1967
HYPERSONIC VELOCITY MEASUREMENTS IN LIQUID DICHLOROMETHANE 1966
Electronic photodissociation spectra and decay pathways of gas-phase IrBr(6)2- 2009

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