The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory | CU Experts

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Lactic Acid Spectroscopy: Intra- and Intermolecular Interactions 2021
Tag-Free, Temperature Dependent Infrared Spectra of the GFP Chromophore: Revisiting the Question of Isomerism 2020
Conformer-Specific Photolysis of Pyruvic Acid and the Effect of Water 2020
Designing High-Triplet-Yield Phenothiazine Donor-Acceptor Complexes for Photoredox Catalysis 2020
Gas-Phase Reaction Kinetics of Pyruvic Acid with OH Radicals: The Role of Tunneling, Complex Formation, and Conformational Structure 2020
Vibrational Autodetachment from Anionic Nitroalkane Chains: From Molecular Signatures to Thermionic Emission 2019
Branching Ratios and Rate Constants for Decomposition and Isomerization of beta-Hydroxyalkoxy Radicals Formed from OH Radical-Initiated Reactions of C-6-C-13 2-Methyl-1-Alkenes in the Presence of NOx 2019
Chemistry and Photochemistry of Pyruvic Acid Adsorbed on Oxide Surfaces 2019
Effects of Naphthyl Connectivity on the Photophysics of Compact Organic Charge-Transfer Photoredox Catalysts 2019
Symmetry-Projected Jastrow Mean-Field Wave Function in Variational Monte Carlo 2019
Nonadiabatic Eigenfunctions Can Have Amplitude, Signed Conical Nodes, or Signed Higher Order Nodes at a Conical Intersection with Circular Symmetry (vol 121, pg 7401, 2017) 2019
Heterogeneous Interactions between Gas-Phase Pyruvic Acid and Hydroxylated Silica Surfaces: A Combined Experimental and Theoretical Study 2019
Reactivity of Electronically Excited SO2 with Alkanes 2018
Interactions of Molecular Titanium Oxides TiOx (x=1-3) with Carbon Dioxide in Cluster Anions 2018
Photoelectron Spectroscopy of the Aminomethoxide Anion, H2C(NH2)O- 2018
Atmospheric Hydroxyl Radical Source: Reaction of Triplet SO2 and Water 2018
Infrared Photodissociation Spectra of [Sn(CO2)(n)](-) Cluster Ions 2018
Identification and Quantitation of Aerosol Products of the Reaction of beta-Pinene with NO3 Radicals and Implications for Gas- and Particle-Phase Reaction Mechanisms 2018
Titanium Insertion into CO Bonds in Anionic Ti-CO2 Complexes 2018
Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction 2018
Immersion and Contact Efflorescence Induced by Mineral Dust Particles 2018
Immersion and Contact Efflorescence Induced by Mineral Dust Particles. 2018
Tribute to Veronica Vaida 2018
p-Carborane Conjugation in Radical Anions of Cage-Cage and Cage-Phenyl Compounds 2018
Solvent-Controlled Branching of Localized versus Delocalized Singlet Exciton States and Equilibration with Charge Transfer in a Structurally Well-Defined Tetracene Dimer 2017
Comment on "Reactivity of Ketyl and Acetyl Radicals from Direct Solar Actinic Photolysis of Aqueous Pyruvic Acid" 2017
Singlet Fission and Excimer Formation in Disordered Solids of Alkyl-Substituted 1,3-Diphenylisobenzofurans 2017
Atmospheric Simulation Chamber Studies of the Gas-Phase Photolysis of Pyruvic Acid 2017
pH Dependence of the Aqueous Photochemistry of alpha-Keto Acids 2017
Interaction of CO2 with Atomic Manganese in the Presence of an Excess Negative Charge Probed by Infrared Spectroscopy of [Mn(CO2)(n)](-) Clusters 2017
Nonadiabatic Eigenfunctions Can Have Amplitude, Signed Conical Nodes, or Signed Higher Order Nodes at a Conical Intersection with Circular Symmetry 2017
Can COSMOTherm Predict a Salting in Effect? 2017
Linear Response Theory for Water Transport Through Dry Nanopores 2017
Tabletop Femtosecond VUV Photoionization and PEPICO Detection of Microreactor Pyrolysis Products 2017
Hygroscopicity of Organic Compounds as a Function of Carbon Chain Length and Carboxyl, Hydroperoxy, and Carbonyl Functional Groups 2017
IR Spectra of n-Bu4M (M = Si, Ge, Sn, Pb), n-BuAuPPh3-d(15), and "n-Bu" on a Gold Surface 2017
Critical Assessment of Photoionization Efficiency Measurements for Characterization of Soot-Precursor Species 2017
Kinetics of the Reactions of NO3 Radical with Methacrylate Esters 2017
Photoionization Efficiencies of Five Polycyclic Aromatic Hydrocarbons 2017
Mechanistic Description of Photochemical Oligomer Formation from Aqueous Pyruvic Acid 2017
Structural Motifs of [Fe(CO2)(n)](-) Clusters (n=3-7) 2017
Multiphase Photochemistry of Pyruvic Acid under Atmospheric Conditions 2017
Uncovering Highly-Excited State Mixing in Acetone Using Ultrafast VUV Pulses and Coincidence Imaging Techniques 2017
Chemical Equilibria and Kinetics in Aqueous Solutions of Zymonic Acid 2016
Gas-Phase Photolysis of Pyruvic Acid: The Effect of Pressure on Reaction Rates and Products 2016
Modeling the Radical Chemistry in an Oxidation Flow Reactor: Radical Formation and Recycling, Sensitivities, and the OH Exposure Estimation Equation (vol 119, pg 4418, 2015) 2016
Hydration of a Binding Site With Restricted Solvent Access: Solvatochromic Shift of the Electronic Spectrum of a Ruthenium Polypyridine Complex, One Molecule at a Time 2016
Effect of the Keto Group on Yields and Composition of Organic Aerosol Formed from OH Radical-Initiated Reactions of Ketones in the Presence of NOx 2016
Effect of the Keto Group on Yields and Composition of Organic Aerosol Formed from OH Radical-Initiated Reactions of Ketones in the Presence of NOx. 2016
Solution-Phase Singlet Fission in a Structurally Well-Defined Norbornyl-Bridged Tetracene Dimer 2016
Electronic Spectra of the Tetraphenylcyclobutadienecyclopentadienylnickel(II) Cation and Radical 2016
Excitation Localization/Delocalization Isomerism in a Strongly Coupled Covalent Dimer of 1,3-Diphenylisobenzofuran 2016
Kinetics of Acid-Catalyzed Dehydration of Cyclic Hemiacetals in Organic Aerosol Particles in Equilibrium with Nitric Acid Vapor 2016
Modeling the Radical Chemistry in an Oxidation Flow Reactor: Radical Formation and Recycling, Sensitivities, and the OH Exposure Estimation Equation (vol 119, pg 4418, 2015) 2016
Ligand Influence on the Electronic Spectra of Dicationic Ruthenium-Bipyridine-Terpyridine Complexes 2016
Photoelectron Spectroscopy of cis-Nitrous Acid Anion (cis-HONO-) 2016
Observational Constraints on the Oxidation of NOx in the Upper Troposphere 2016
Persistent Water-Nitric Acid Condensate with Saturation Water Vapor Pressure Greater than That of Hexagonal Ice 2016
Experimental and Theoretical Studies of the Reactivity and Thermochemistry of Dicyanamide: N(CN)(2)(-) 2016
Absorption Spectrum of a Ru(II)-Aquo Complex in Vacuo: Resolving Individual Charge-Transfer Transitions 2015
Products and Mechanism of the Reaction of 1-Pentadecene with NO3 Radicals and the Effect of a -ONO2 Group on Alkoxy Radical Decomposition 2015
Intramolecular Hydrogen Bonding in Methyl Lactate 2015
A Tribute to Mario Molina 2015
Chemical Compositions of Black Carbon Particle Cores and Coatings via Soot Particle Aerosol Mass Spectrometry with Photoionization and Electron Ionization 2015
Computational Study of the Effect of Glyoxal-Sulfate Clustering on the Henry's Law Coefficient of Glyoxal 2015
Measurements of the Absorption Cross Section of (CHOCHO)-C-13-C-13 at Visible Wavelengths and Application to DOAS Retrievals 2015
Modeling the Radical Chemistry in an Oxidation Flow Reactor: Radical Formation and Recycling, Sensitivities, and the OH Exposure Estimation Equation 2015
Recent Trends in Global Emissions of Hydrochlorofluorocarbons and Hydrofluorocarbons: Reflecting on the 2007 Adjustments to the Montreal Protocol 2015
Energy Pooling Upconversion in Organic Molecular Systems 2015
Pulse Propagation Effects in Optical 2D Fourier-Transform Spectroscopy: Theory 2015
Changes to the Chemical Composition of Soot from Heterogeneous Oxidation Reactions 2015
Structures of [CoO(CO2)(n)](-) and [NiO(CO2)(n)](-) Clusters Studied by Infrared Spectroscopy 2015
Exploring Non-Condon Effects in a Covalent Tetracene Dimer: How Important Are Vibrations in Determining the Electronic Coupling for Singlet Fission? 2015
Gas-Phase Acidities of Nitrated Azoles as Determined by the Extended Kinetic Method and Computations 2015
From Ordinary to Blue Emission in Peralkylated n-Oligosilanes: The Calculated Structure of Delocalized and Localized Singlet Excitons 2014
Structural Diversity of Copper-CO2 Complexes: Infrared Spectra and Structures of [Cu(CO2)(n)](-) Clusters 2014
Synthesis, electrochemical characterization, and photophysical studies of structurally tuned aryl-substituted terpyridyl ruthenium(II) complexes. 2014
Photodissociation Spectroscopy of the Anionic Copper Nitrate Association Complex Cu(NO3)(3)(-) 2014
Chemical and Physical Transformations of Aluminosilicate Clay Minerals Due to Acid Treatment and Consequences for Heterogeneous Ice Nucleation 2014
Identification and Yields of 1,4-Hydroxynitrates Formed from the Reactions of C-8-C-16 n-Alkanes with OH Radicals in the Presence of NOx 2014
Interaction of Nickel with Carbon Dioxide in [Ni(CO2)(n)](-) Clusters Studied by Infrared Spectroscopy 2014
Alkyl Nitrate Formation from the Reactions of C-8-C-14 n-Alkanes with OH Radicals in the Presence of NOx: Measured Yields with Essential Corrections for Gas-Wall Partitioning 2014
Photochemical Kinetics of Pyruvic Acid in Aqueous Solution 2014
Infrared Spectra and Structures of Anionic Complexes of Cobalt with Carbon Dioxide Ligands 2014
Dynamics of Small, Ultraviolet-Excited ICN- Cluster Anions 2013
H2O Vapor Transmission Rate through Polyethylene Naphtha late Polymer Using the Electrical Ca Test 2013
Solvent-Mediated Reduction of Carbon Dioxide in Anionic Complexes with Silver Atoms 2013
Direct Measurements of Rate Constants for the Reactions of CH3 Radicals with C2H6, C2H4, and C2H2 at High Temperatures 2013
Intramolecular Interactions in 2-Aminoethanol and 3-Aminopropanol 2013
Tunable electronic coupling and driving force in structurally well-defined tetracene dimers for molecular singlet fission: a computational exploration using density functional theory. 2013
Experimental and computational exploration of ground and excited state properties of highly strained ruthenium terpyridine complexes. 2013
Absolute Measurement of Femtosecond Pump-Probe Signal Strength 2013
Pulse Propagation Effects in Optical 2D Fourier-Transform Spectroscopy: Experiment 2013
Spectroscopy and Photochemistry of Sodium Chromate Ester Cluster Ions 2013
Dynamics of the 3MLCT in Ru(II) terpyridyl complexes probed by ultrafast spectroscopy: evidence of excited-state equilibration and interligand electron transfer. 2012
Fifth Stereoactive Orbital on Silicon: Relaxation of the Lowest Singlet Excited State of Octamethyltrisilane 2012
Depositional Ice Nucleation on Monocarboxylic Acids: Effect of the O:C Ratio 2012
Bond Energies and Structures of Ammonia-Sulfuric Acid Positive Cluster Ions 2012
Cavity-Enhanced Measurements of Hydrogen Peroxide Absorption Cross Sections from 353 to 410 nm 2012
Heterogeneous Glyoxal Oxidation: A Potential Source of Secondary Organic Aerosol 2012
Near Infrared Photochemistry of Pyruvic Acid in Aqueous Solution 2012
Secondary Organic Aerosol Formation from Low-NOx Photooxidation of Dodecane: Evolution of Multigeneration Gas-Phase Chemistry and Aerosol Composition 2012
Photoelectron Spectroscopy of Anilinide and Acidity of Aniline 2012
Wavelength Dependence of the Suppressed Ionization of Molecules in Strong Laser Fields 2012
Spectroscopy and Fragmentation of Undercoordinated Bromoiridates 2011
Electronic and Vibrational Transition Moment Directions in 7-Dimethylamino-3-methyl-N-methyl-d(3)-4-phenylethynylcarbostyril 2011
Vibrational Autodetachment-Intramolecular Vibrational Relaxation Translated Into Electronic Motion (vol 114, pg 4017, 2010) 2011
Autocatalyses 2011
Alignment, Vibronic Level Splitting, and Coherent Coupling Effects on the Pump-Probe Polarization Anisotropy 2011
Gas-Phase Experiments on Au(III) Photochemistry 2011
Computational exploration of heterolytic halogen-carbon bond scission photoreactions in ruthenium polypyridyl complexes. 2011
Excited-State Processes in First-Generation Phenyl-Cored Thiophene Dendrimers 2011
Photoelectron Spectroscopic Study of the Oxyallyl Diradical 2011
Measurement of the Fourth O-H Overtone Absorption Cross Section in Acetic Acid Using Cavity Ring-Down Spectroscopy 2011
Overtone Spectra of 2-Mercaptoethanol and 1,2-Ethanedithiol 2010
Microhydration of Nitromethane Anions from Both a Solute and Solvent Perspective 2010
Vibrational Autodetachment-Intramolecular Vibrational Relaxation Translated Into Electronic Motion (vol 114, pg 4017, 2010) 2010
Cooling Enhancement of Aerosol Particles Due to Surfactant Precipitation 2010
Intramolecular Hydrogen Migration in Alkylperoxy and Hydroperoxyalkylperoxy Radicals: Accurate Treatment of Hindered Rotors 2010
Vibrational Autodetachment-Intramolecular Vibrational Relaxation Translated into Electronic Motion 2010
Autobiography of W. Carl Lineberger 2010
Quartz Crystal Microbalance Studies of Al2O3 Atomic Layer Deposition Using Trimethylaluminum and Water at 125 degrees C 2010
Simulations of ICI-(CO2)(n) Photodissociation: Effects of Structure, Excited State Charge Flow, and Solvent Dynamics 2010
Toward Designed Singlet Fission: Electronic States and Photophysics of 1,3-Diphenylisobenzofuran 2010
Photoelectron Spectroscopy and Thermochemistry of the Peroxyformate Anion 2010
Optical Properties of Internally Mixed Aerosol Particles Composed of Dicarboxylic Acids and Ammonium Sulfate 2009
Preface to the Robert W. Field Festschrift 2009
Propagation and Beam Geometry Effects on Two-Dimensional Fourier Transform Spectra of Multilevel Systems 2009
Comment on "A New Proposal for the Ground State of the FeO- Cluster in the Gas Phase and for the Assignment of Its Photoelectron Spectra" 2009
Dealkylation of Alkylbenzenes: A Significant Pathway in the Toluene, o-, m-, p-Xylene plus OH Reaction 2009
HCO Quantum Yields in the Photolysis of HC(O)C(O)H (Glyoxal) between 290 and 420 nm 2009
Fundamental and Overtone Vibrational Spectra of Gas-Phase Pyruvic Acid 2009
SH-Stretching Vibrational Spectra of Ethanethiol and tert-Butylthiol 2009
Yields of beta-Hydroxynitrates and Dihydroxynitrates in Aerosol Formed from OH Radical-Initiated Reactions of Linear Alkenes in the Presence of NOx 2009
Spectroscopy of Photoreactive Systems: Implications for Atmospheric Chemistry 2009
Interpretation of the Electronic Spectra of Four Disilanes 2008
Experimental and Theoretical Study of the OH Vibrational Spectra and Overtone Chemistry of Gas-Phase Vinylacetic Acid 2008
Ion chemistry of 1H-1,2,3-triazole. 2. Photoelectron spectrum of the iminodiazomethyl anion and collision induced dissociation of the 1,2,3-triazolide ion 2008
CO gas sensing by ultrathin tin oxide films grown by atomic layer deposition using transmission FTIR spectroscopy 2008
Direct measurement of the angular dependence of the single-photon ionization of aligned N-2 and CO2 2008
Overtone dissociation of peroxynitric acid (HO2NO2): Absorption cross sections and photolysis products 2008
Vibrational spectroscopy of nitroalkane chains using electron autodetachment and Ar predissociation 2008
Dynamics of vibrational overtone excited pyruvic acid in the gas phase: Line broadening through hydrogen-atom chattering 2008
Angular distributions for vibrationally inelastic nonresonant scattering of electrons by molecules 2007
Gauge-Origin-Independent Coupled Cluster Singles and Doubles Calculation of Magnetic Circular Dichroism of Azabenzenes and Phosphabenzene Using London Orbitals 2007
Thermochemical studies of N-methylpyrazole and N-methylimidazole 2007
Structure of the vinyldiazomethyl anion and energetic comparison to the cyclic isomers 2007
Overtone spectroscopy of sulfonic acid derivatives 2007
General method for reducing adaptive laser pulse-shaping experiments to a single control variable. 2007
Comparison of DFT methods for molecular orbital eigenvalue calculations 2007
Elucidation of control mechanisms discovered during adaptive manipulation of [Ru(dpb)3](PF6)2 emission in the solution phase. 2007
Spectroscopic characterization of the isolated SF6- and C4F8- anions: Observation of very long harmonic progressions in symmetric deformation modes upon photodetachment 2007
Thermochemical studies of pyrazolide 2006
Permeability of acetic acid through organic films at the air-aqueous interface 2006
Uptake of small oxygenated organic molecules onto ammonium nitrate under upper tropospheric conditions 2006
Experimental and theoretical investigation of vibrational overtones of glycolic acid and its hydrogen bonding interactions with water 2006
General Method for the Dimension Reduction of Adaptive Control Experiments 2006
Reaction of oleic acid particles with NO3 radicals: Products, mechanism, and implications for radical-initiated organic aerosol oxidation 2006
Photoelectron spectra and ion chemistry of imidazolide 2005
One-electron reduction of an "extended viologen" p-phenylene-bis-4,4 '-(1-aryl-2,6-diphenylpyridinium) dication 2005
Electric field fluctuations drive vibrational dephasing in water. 2005
Products and mechanism of secondary organic aerosol formation from reactions of linear alkenes with NO3 radicals 2005
Products and Mechanism of Secondary Organic Aerosol Formation from Reactions of Linear Alkenes with NO3Radicals 2005
An infrared investigation of the (CO2)(n)(-) clusters: Core ion switching from both the ion and solvent perspectives 2005
Laboratory studies of butane nucleation on organic haze particles: Application to Titan's clouds 2005
Unimolecular dissociation of formyl radical, HCO -> H plus CO, studied over 1-100 bar pressure range 2004
Photoelectron spectroscopy of AuO- and AuS- 2004
Uptake of acetic acid on thin ammonium nitrate films as a function of temperature and relative humidity 2004
Argon cluster-mediated trapping and vibrational spectroscopic characterization of an OH-center dot HCH2 center dot intermediate in the O center dot-+CH4 reaction 2004
Thermochemistry and electronic structure of the pyrrolyl radical 2004
Comparative OHD-RIKES and THz-TDS probes of ultrafast structural dynamics in molecular liquids 2004
Vapor-phase vibrational spectrum of glycolic acid, CH2OHCOOH, in the region 2000-8500 cm(-1) 2004
Calculating cumulene/poly-yne isomerization energies 2004
Magnetic circular dichroism of nonaromatic cyclic pi-electron systems. 5. Biphenylene and its aza analogues 2004
Heterogeneous reaction of gaseous nitric acid on gamma-phase iron(III) oxide 2004
Reaction of OH with HO2NO2 (peroxynitric acid): Rate coefficients between 218 and 335 K and product yields at 298 K 2004
Complexes of importance to the absorption of solar radiation 2003
Experimental thermodynamics of cluster ions composed of H2SO4 and H2O. 1. Positive ions 2003
Experimental thermodynamics of cluster ions composed of H2SO4 and H2O. 2. Measurements and a initio structures of negative ions 2003
The only stable state of O-2(-) is the X (2)Pi(g) ground state and it (still!) has an adiabatic electron detachment energy of 0.45 eV 2003
Kinetics of the removal of OH(v=1) and OD(v= 1) by HNO3 and DNO3 from 253 to 383 K 2003
Infrared signatures of a water molecule attached to triatomic domains of molecular anions: Evolution of the H-bonding configuration with domain length 2003
The transoid, ortho, and gauche conformers of decamethyl-n-tetrasilane, n-Si4Me10: Electronic transitions in the multistate complete active space second-order perturbation theory description 2003
Charge hopping in molecular wires as a sequence of electron-transfer reactions 2003
The disilane chromophore: Photoelectron and electronic spectra of hexaalkyldisilanes and 1,(n+2)-disila[n.n.n]propellanes 2003
Formation of alkoxyhydroperoxy aldehydes and cyclic peroxyhemiacetals from reactions of cyclic alkenes with O-3 in the presence of alcohols 2003
Vibrational and electronic spectroscopy of sulfuric acid vapor 2003
Electron autodetachment from isolated nickel and copper phthalocyanine-tetrasulfonate tetraanions: Isomer specific rates 2003
Conformational effects on the ultraviolet absorption spectrum of n-tetrasilane: Multistate complete active space second-order perturbation theory treatment 2002
Heat of formation of the hydroperoxyl radical HOO via negative ion studies 2002
Uptake of nitric acid on ice at tropospheric temperatures: Implications for cirrus clouds 2002
Solvatochromism and solvation dynamics of structurally related cyanine dyes 2002
A possible reinterpretation of the photoelectron spectra of [CCl2](-center dot), [CBr2](-center dot), and [CI2](-center dot): A role for quartet isodihalocarbene or dihalocarbene radical anions? 2002
Kinetics of O-2(1 Sigma(+)(g)) reaction with H-2 and an upper limit for OH production 2002
Polar solvation dynamics in the femtosecond evolution of two-dimensional Fourier transform spectra 2002
General trends for bulk diffusion in ice and surface diffusion on ice 2002
Effect of sodium on HCl hydrate diffusion in ice: Evidence for anion-cation trapping 2002
Evidence for low-volatility diacyl peroxides as a nucleating agent and major component of aerosol formed from reactions of O-3 with cyclohexene and homologous compounds 2002
The interaction of methanol, acetone, and acetaldehyde with ice and nitric acid-doped ice: Implications for cirrus clouds 2002
A molecular theory for doubly resonant IR-UV-vis sum-frequency generation 2002
Peralkylated tetrasilanes: Conformational dependence of the photoelectron spectrum 2002
Measuring intramolecular charge transfer via coherent generation of THz radiation 2002
The hydration of formic acid 2002
Cluster ion thermal decomposition (I): Experimental kinetics study and ab initio calculations for HSO4-(H2SO4)(x)(HNO3)(y) 2001
Naphthyl radical: Negative ion photoelectron spectroscopy, Franck-Condon simulation, and thermochemistry 2001
UV, MCD, and LD spectra of a conformationally constrained ortho-tetrasilane: Support for the avoided crossing model of conformational effects on excited states 2001
Primary and secondary glyoxal formation from aromatics: Experimental evidence for the bicycloalkyl-radical pathway from benzene, toluene, and p-xylene 2001
Kinetics of the gas-phase reactions of alcohols, aldehydes, carboxylic acids, and water with the C13 stabilized Criegee intermediate formed from ozonolysis of 1-tetradecene 2001
Diffusion kinetics of HC1 hydrates in ice measured using infrared laser resonant desorption depth-profiling 2001
Reaction of hydroxyl radical with nitric acid: Insights into its mechanism 2001
Relating state-dependent cross sections to non-Arrhenius behavior for the Cl+CH4 reaction 2001
Sources, sinks, and the distribution of OH in the lower stratosphere 2001
The NOx-HNO3 system in the lower stratosphere: Insights from in situ measurements and implications of the J(HNO3)-[OH] relationship 2001
Use of quantum methods with transition state theory: Application to H-atom metathesis reactions 2001
HBr uptake on ice: Uptake coefficient, H2O/HBr hydrate formation, and H2O desorption kinetics 2001
Sequential two-photon dissociation of atmospheric water 2001
Charge flow and solvent dynamics in the photodissociation of solvated molecular ions 2000
Electronic excitation in a saturated chain: An MS-CASPT2 treatment of the anti conformer of n-tetrasilane 2000
MCD of nonaromatic cyclic pi-electron systems. 3. The perimeter model for low-symmetry "unaromatic" and "ambiaromatic" molecules derived from 4N-electron [n]annulenes 2000
MCD of nonaromatic cyclic pi-electron systems. 4. Explicit relations between molecular structure and spectra 2000
Simultaneous kinetics and ring-down: Rate coefficients from single cavity loss temporal profiles 2000
Physicochemical properties of hydrated complexes in the Earth's atmosphere 2000
Absolute intensities for third and fourth overtone absorptions in HNO3 and H2O2 measured by cavity ring down spectroscopy 2000
Transoid, ortho, and gauche conformers of n-Si4Cl10: Raman and mid-IR matrix-isolation spectra 2000
Conformers of n-Si6Me14: Ab initio, molecular mechanics, and additive increment methods 2000
A theoretical study of the structure and thermochemistry of 1,3-butadiene on the Ge/Si(100)-2 x 1 surface 2000
Ultraviolet photoelectron spectroscopy of o-, m-, and p-halobenzyl anions 1999
Organic peroxyl radical photolysis in the near-infrared: Effects on tropospheric chemistry 1999
Photodissociation dynamics of gas-phase BrICl- and IBr2- anions 1999
Two-dimensional electronic correlation and relaxation spectra: Theory and model calculations 1999
Investigation of the heterogeneous reactivity of HCl, HBr, and HI on ice surfaces 1999
Direct absorption spectroscopy of water clusters 1999
Singlet-triplet splittings in CX2 (X = F, Cl, Br, I) dihalocarbenes via negative ion photoelectron spectroscopy 1999
How rapidly does the SH radical react with N2O? 1999
An experimental study of the low-lying electronic states of WO2 1999
Photoperoxidation of a diamino zinc porphyrazine to the seco-zinc porphyrazine: Suicide or murder? 1999
Reconsideration of the rate constant for the reaction of hydroxyl radicals with nitric acid 1999
Conformers of n-Si5Me12: A comparison of ab initio and molecular mechanics methods 1999
Atmospheric oxidation of toluene in a large-volume outdoor photoreactor: In situ determination of ring-retaining product yields 1998
Effect of HNO3 and HCl on D2O desorption kinetics from crystalline D2O ice 1998
Assessing the contribution of the lowest triplet state to the near-UV absorption spectrum of HOCl 1998
Photodissociation of I-2(-)(OCS)(n) cluster ions: Structural implications 1998
Properties of diazocarbene [CNN] and the diazomethyl radical [HCNN] via ion chemistry and spectroscopy 1998
Condensed-phase products in heterogeneous reactions: N2O5, ClONO2, and HNO3 reacting on ice films at 185 K 1998
Spin-orbit coupling in biradicals. 2. Ab initio methodology and application to 1,1-biradicals: Carbene and silylene 1998
Absolute intensities of nitric acid overtones 1998
Red edge photophysics of ethanolic rhodamine 101 and the observation of laser cooling in the condensed phase 1998
Theoretical Studies of Steric Effects on Intraligand Electron Delocalization: Implications for the Temporal Evolution of MLCT Excited States 1998
Electronic structure of (CS(2))(2)(-) 1998
Rotational relaxation in supercritical carbon dioxide revisited: A study of solute-induced local density augmentation 1998
Surface sensitive studies of the reactive uptake of chlorine nitrate on ice 1997
A kinetic and product study of the hydrolysis of ClONO2 on type Ia polar stratospheric cloud materials at 185 K 1997
Direct measurement of the rate coefficient for the CH2=C(CH3)C(O)O-2+NO reaction using chemical ionization mass spectrometry 1997
Photodissociation, recombination, and electron transfer in cluster ions: A nonadiabatic molecular dynamics study of I-2(-)(CO2)(n) 1997
Femtosecond dynamics of linear Ag-3 1997
Interaction of HCl with ice: Investigation of the predicted trihydrate, hexahydrate, and monolayer regimes 1997
Conformational effects in photoelectron spectra of tetrasilanes 1997
An experimental and computational study of the electron affinity of boron oxide 1997
Photoelectron spectroscopy of the NCN- and HNCN- ions 1997
Cubic-grid gaussian basis sets for electron-scattering calculations .6. Applications to H-2, H2O, and CH4 1997
Crystallization kinetics of HNO3/H2O films representative of polar stratospheric clouds 1997

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