The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory
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Research
keywords
0307 Theoretical and Computational Chemistry, 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics, 0306 Physical Chemistry (incl. Structural)
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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