Journal of Physical Chemistry A - Texas A&M University (TAMU) Scholar

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Photophysical Outcomes of Water-Solvated Heterocycles: Single-Conformation Ultraviolet and Infrared Spectroscopy of Microsolvated 2-Phenylpyrrole.. 127:10540-10554. 2023
Comparing Density Functional Theory Metal-Ligand Bond Dissociation Enthalpies with Experimental Solution-Phase Enthalpies of Activation for Bond Dissociation. 2023
Variation of CI-2 Conformers upon Addition of Methanol to Water: An IMS-MS-Based Thermodynamic Analysis. 2023
Glass Transition Temperatures of Organic Mixtures from Isoprene Epoxydiol-Derived Secondary Organic Aerosol.. 127:4125-4136. 2023
Reorganization Energy Predictions with Graph Neural Networks Informed by Low-Cost Conformers.. 127:3484-3489. 2023
Oxidation of Pharmaceuticals by Ferrate(VI)-Amino Acid Systems: Enhancement by Proline.. 127:2314-2321. 2023
Laminar Flame Speed, Ignition Delay Time, and CO Laser Absorption Measurements of a Gasoline-like Blend of Pentene Isomers.. 127:495-505. 2023
Tracking Energy Transfer across a Platinum Center.. 126:4915-4930. 2022
Solvent-Mediated Charge Transfer Dynamics of a Model Brown Carbon Aerosol Chromophore: Photophysics of 1-Phenylpyrrole Induced by Water Solvation.. 126:4313-4325. 2022
Ozone Photodissociation in the Singlet Channel at 226 nm.. 126:6898-6907. 2022
Anomeric Effect in Five-Membered Ring Molecules: Comparison of Theoretical Computations and Experimental Spectroscopic Results.. 125:327-337. 2021
Theoretical Calculations, Microwave Spectroscopy, and Ring-Puckering Vibrations of 1,1-Dihalosilacyclopent-2-enes.. 124:8254-8262. 2020
A Shock-Tube Study of the Rate Constant of PH3 + M PH2 + H + M (M = Ar) Using PH3 Laser Absorption.. 124:7380-7387. 2020
Spectroscopic and Theoretical Study of the Intramolecular -Type Hydrogen Bonding and Conformations of 3-Cyclopentene-1-amine.. 124:5907-5916. 2020
Confronting Racism in Chemistry Journals.. 124:5271-5273. 2020
Update to Our Reader, Reviewer, and Author Communities-April 2020.. 124:3501-3502. 2020
Symmetry-Based Crystal Structure Enumeration in Two Dimensions.. 124:3276-3285. 2020
Anomalous Intensities in the 2+1 REMPI Spectrum of the E 1-X 1+ Transition of CO.. 123:2780-2788. 2019
Canonical Approach To Generate Multidimensional Potential Energy Surfaces.. 123:537-543. 2019
The Connection between Resonances and Bound States in the Presence of a Coulomb Potential.. 123:82-95. 2019
Guest Molecules in a Layered Microporous Tin(IV) Phosphonate-Phosphate Material: Solid State NMR Studies.. 122:9901-9909. 2018
Theoretical Study of Structures and Ring-Puckering Potential Energy Functions of Bicylo[3.1.0]hexane and Related Molecules.. 122:5970-5977. 2018
Luminescence of Molecular Nitrogen Nanoclusters Containing Stabilized Atoms.. 121:9045-9057. 2017
Collisional Intermolecular Energy Transfer from a N2 Bath at Room Temperature to a Vibrationlly "Cold" C6F6 Molecule Using Chemical Dynamics Simulations.. 121:4049-4057. 2017
Ring-Puckering Potential Energy Functions for Trimethylene Sulfide and Its Monovalent Cation.. 121:2798-2803. 2017
Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates.. 121:1310-1318. 2017
Role of Organic Hydrocarbons in Atmospheric Ice Formation via Contact Freezing.. 120:10169-10180. 2016
Microwave Spectra, Structure, and Ring-Puckering Vibration of Octafluorocyclopentene.. 120:8686-8690. 2016
Toward Molecular Magnets of Organic Origin via Anion−π Interaction Involving m‑Aminyl Diradical: A Theoretical Study. 120:9117-9130. 2016
Morse, Lennard-Jones, and Kratzer Potentials: A Canonical Perspective with Applications.. 120:8347-8359. 2016
Vapor-Phase Raman Spectra and the Barrier to Planarity of Cyclohexane.. 120:7677-7680. 2016
Internal Rotation of Methylcyclopropane and Related Molecules: Comparison of Experiment and Theory.. 120:7269-7278. 2016
Canonical Force Distributions in Pairwise Interatomic Interactions from the Perspective of the Hellmann-Feynman Theorem.. 120:3718-3725. 2016
Investigating Orientational Defects in Energetic Material RDX Using First-Principles Calculations.. 120:1917-1924. 2016
Canonical Approaches to Applications of the Virial Theorem.. 120:817-823. 2016
Spectroscopic and Theoretical Study of the Intramolecular -Type Hydrogen Bonding and Conformations of 2-Cyclohexen-1-ol.. 120:74-80. 2016
Modeling the CH Stretch Vibrational Spectroscopy of M(+)[Cyclohexane] (M = Li, Na, and K) Ions.. 119:10293-10299. 2015
Anharmonic Vibrational Analysis of the Infrared and Raman Gas-Phase Spectra of s-trans- and s-gauche-1,3-Butadiene.. 119:10706-10723. 2015
Local Mode Approach to OH Stretch Spectra of Benzene-(H2O)n Clusters, n = 2-7.. 119:9917-9930. 2015
Quantitative Analysis of Energy Transfer and Origin of Quenching in Er(3+)/Ho(3+) Codoped Germanosilicate Glasses.. 119:6823-6830. 2015
Experimental and Chemical Kinetics Study of the Effects of Halon 1211 (CF2BrCl) on the Laminar Flame Speed and Ignition of Light Hydrocarbons.. 119:7611-7626. 2015
Experimental and Kinetic Modeling Study of 2-Methyl-2-Butene: Allylic Hydrocarbon Kinetics.. 119:7462-7480. 2015
Canonical Potentials and Spectra within the Born-Oppenheimer Approximation.. 119:6753-6758. 2015
Heterogeneous chemistry of glyoxal on acidic solutions. An oligomerization pathway for secondary organic aerosol formation.. 119:4457-4463. 2015
Volatility of atmospherically relevant alkylaminium carboxylate salts.. 119:4336-4346. 2015
Infrared and Raman spectra, theoretical calculations, conformations, and two-dimensional potential energy surface of 2-cyclopenten-1-one ethylene ketal.. 119:1478-1485. 2015
Optical and electron spin resonance studies of xenon-nitrogen-helium condensates containing nitrogen and oxygen atoms.. 119:2438-2448. 2015
Solvation of actinide salts in water using a polarizable continuum model.. 119:689-703. 2015
Vibrational spectra, theoretical calculations, and two-dimensional potential energy surface for the ring-puckering vibrations of 2,4,7-trioxa[3.3.0]octane.. 119:410-417. 2015
Fermi resonance effects in the vibrational spectroscopy of methyl and methoxy groups.. 118:11272-11281. 2014
Photophysics of platinum tetrayne oligomers: delocalization of triplet exciton.. 118:10333-10339. 2014
A unified perspective on the nature of bonding in pairwise interatomic interactions.. 118:6287-6298. 2014
Theoretical and spectroscopic analysis of N,N'-diphenylurea and N,N'-dimethyl-N,N'-diphenylurea conformations.. 118:5304-5315. 2014
Clar theory extended for polyacenes and beyond.. 118:4325-4338. 2014
Vapor-phase Raman spectra, theoretical calculations, and the vibrational and structural properties of cis- and trans-stilbene.. 118:1103-1112. 2014
Effects of chemical aging on the ice nucleation activity of soot and polycyclic aromatic hydrocarbon aerosols.. 118:10036-10047. 2014
Infrared, Raman, and ultraviolet absorption spectra and theoretical calculations and structure of 2,6-difluoropyridine in its ground and excited electronic states.. 117:13596-13604. 2013
Cryogenic ion mobility-mass spectrometry captures hydrated ions produced during electrospray ionization.. 117:953-961. 2013
Bis-trifluoromethyl effect: doubled transitions in the rotational spectra of hexafluoroisobutene, (CF3)2CCH2.. 116:8169-8175. 2012
High-accuracy extrapolated ab initio thermochemistry of the vinyl, allyl, and vinoxy radicals.. 116:7668-7676. 2012
Theoretical investigation of interaction of dicarboxylic acids with common aerosol nucleation precursors.. 116:4539-4550. 2012
Ethanol reforming on Co(0001) surfaces: a density functional theory study.. 116:1409-1416. 2012
Computational studies on ethylene addition to nickel bis(dithiolene).. 116:476-482. 2012
Gas-phase Raman spectra of s-trans- and s-gauche-1,3-butadiene and their deuterated isotopologues.. 116:271-281. 2012
How alkali metal ion binding alters the conformation preferences of gramicidin A: a molecular dynamics and ion mobility study.. 116:689-696. 2012
Gas-phase Raman spectra and the potential energy function for the internal rotation of 1,3-butadiene and its isotopologues.. 115:8920-8927. 2011
Laboratory investigation on the role of organics in atmospheric nanoparticle growth.. 115:8940-8947. 2011
Vibrational spectra and structure of cyclopentane and its isotopomers.. 115:6531-6542. 2011
Molecular dynamics and ion mobility spectrometry study of model -hairpin peptide, trpzip1.. 115:4427-4435. 2011
Ion imaging study of NO3 radical photodissociation dynamics: characterization of multiple reaction pathways.. 115:3218-3226. 2011
Effect of pH on methylene blue transient states and kinetics and bacteria photoinactivation.. 115:2702-2707. 2011
Comparative studies of the trans-cis photoisomerizations of azobenzene and a bridged azobenzene.. 115:244-249. 2011
Ion Pair Formation in Multiphoton Excitation of NO2 Using Linearly and Circularly Polarized Femtosecond Light Pulses: Kinetic Energy Distribution and Fragment Recoil Anisotropy (vol 114A, pg 9902, 2010). 114:13288-13288. 2010
Ion pair formation in multiphoton excitation of NO(2) using linearly and circularly polarized femtosecond light pulses: kinetic energy distribution and fragment recoil anisotropy.. 114:9902-9918. 2010
Thermal decomposition pathways of hydroxylamine: theoretical investigation on the initial steps.. 114:9262-9269. 2010
Heterogeneous reaction of NO(2) on fresh and coated soot surfaces.. 114:7516-7524. 2010
Intramolecular pi-type hydrogen bonding and conformations of 3-cyclopenten-1-ol. 1. Theoretical calculations.. 114:7453-7456. 2010
Intramolecular pi-type hydrogen bonding and conformations of 3-cyclopenten-1-ol. 2. Infrared and Raman spectral studies at high temperatures.. 114:7457-7461. 2010
Nanoparticle shape evolution identified through multivariate statistics.. 114:5596-5600. 2010
OH radical initiated oxidation of 1,3-butadiene: isomeric selective study of the dominant addition channel.. 114:5299-5305. 2010
Bond evolution in electron transfer: a time-resolved EXAFS study.. 114:2751-2756. 2010
Theoretical infrared and terahertz spectra of an RDX/aluminum complex.. 114:2284-2292. 2010
Isomer-selective study of the OH-initiated oxidation of isoprene in the presence of O(2) and NO: 2. the major OH addition channel.. 114:2553-2560. 2010
Isomer-selective study of the OH initiated oxidation of isoprene in the presence of O(2) and NO. I. The minor inner OH-addition channel.. 114:904-912. 2010
Theoretical Infrared and Terahertz Spectra of an RDX/Aluminum Complex. 114:7815-7815. 2010
Two-photon three-dimensional optical storage memory.. 113:13633-13644. 2009
Kinetic C-H oxidative addition vs thermodynamic C-X oxidative addition of chlorobenzene by a neutral Rh(I) system. A density functional theory study.. 113:11706-11712. 2009
Reduction of oxyiron(V) by sulfite and thiosulfate in aqueous solution.. 113:8901-8906. 2009
Comment on "New insight into photochemistry of ferrioxalate".. 113:8818-8819. 2009
On the structure elucidation using ion mobility spectrometry and molecular dynamics.. 113:8221-8234. 2009
Spectroscopic investigation of the molecular vibrations of 1,4-dihydronaphthalene in its ground and excited electronic States.. 113:7753-7759. 2009
Highly anisotropic exchange interactions in a trigonal bipyramidal cyanide-bridged Ni(II)3Os(III)2 cluster.. 113:6886-6890. 2009
Light-activated molecular conductivity in the photoreactions of vitamin D3.. 113:6740-6744. 2009
Density functional theory study of the reaction mechanism for competitive carbon-hydrogen and carbon-halogen bond activations catalyzed by transition metal complexes.. 113:2152-2157. 2009
A self-starting method for obtaining analytic potential-energy surfaces from ab initio electronic structure calculations.. 113:869-877. 2009
Clar theory for molecular benzenoids.. 113:1151-1158. 2009
Enhanced light absorption and scattering by carbon soot aerosol internally mixed with sulfuric acid.. 113:1066-1074. 2009
Hydrogen-bonding interaction in molecular complexes and clusters of aerosol nucleation precursors.. 113:680-689. 2009
Graphene terahertz generators for molecular circuits and sensors.. 112:13699-13705. 2008
Experimental and theoretical studies of (CsI)n Cs+ cluster ions produced by 355 nm laser desorption ionization.. 112:11061-11066. 2008
Influence of laser pulse parameters on dynamical processes during azobenzene photoisomerization.. 112:11142-11152. 2008
Unimolecular dissociation reactions of methyl benzoate radical cation.. 112:11590-11597. 2008
Vibrational spectra of anhydrous and monohydrated caffeine and theophylline molecules and crystals.. 112:10210-10219. 2008
Addition reactions of alkyl and carboxyl radicals to vinylidene fluoride.. 112:4483-4489. 2008
Density functional theory study on OH-initiated atmospheric oxidation of m-xylene.. 112:4314-4323. 2008
Inhomogeneous broadening, luminescence origin and optical amplification in bismuth-doped glass.. 112:3036-3039. 2008
Synthesis and characterization of protonated zirconium trisilicate and its exchange phases with strontium.. 112:2589-2597. 2008
Ultraviolet cavity ringdown spectra and the S1(n,pi) ring-inversion potential energy function for 2-cyclohexen-1-one-d0 and Its 2,6,6-d3 isotopomer.. 112:38-44. 2008
Microwave-based structure and four-dimensional morphed intermolecular potential for HI-CO(2).. 111:11976-11985. 2007
Photoelectron detachment and solvated electron dynamics of the Cobalt(III) and Iron(III) oxalato complexes. 111:11584-11588. 2007
Simple energy corrections for precise atomization energies of CHON molecules.. 111:11160-11165. 2007
Effects of confinement on small water clusters structure and proton transport.. 111:10722-10731. 2007
Transient structures and kinetics of the ferrioxalate redox reaction studied by time-resolved EXAFS, optical spectroscopy, and DFT.. 111:9326-9335. 2007
Fluorescence and ultraviolet absorption spectra, and the structure and vibrations of 1,2,3,4-tetrahydronaphthalene in its S1(pi,pi*) state.. 111:8429-8438. 2007
A two transition state model for radical-molecule reactions: applications to isomeric branching in the OH-isoprene reaction.. 111:5582-5592. 2007
Heterogeneous chemistry of organic acids on soot surfaces.. 111:4804-4814. 2007
Vibrational spectra, ab initio calculations, and ring-puckering potential energy function for gamma-crotonolactone.. 111:3302-3305. 2007
Approximate rate constants for nonideal diffusion and their application in a stochastic model.. 111:2084-2092. 2007
Dendrimer-tetrachloroplatinate precursor interactions. 1. Hydration of Pt(II) species and PAMAM outer pockets.. 111:932-944. 2007
Dendrimer-tetrachloroplatinate precursor interactions. 2. Noncovalent binding in PAMAM outer pockets.. 111:945-953. 2007
Detailed dynamics of the photodissociation of cyclobutane.. 111:1133-1137. 2007
Vibrational spectra, DFT calculations, unusual structure, anomalous CH2 wagging and twisting modes, and phase-dependent conformation of 1,3-disilacyclobutane.. 111:825-831. 2007
Simple energy corrections for precise atomization energies of CHON molecules. 111:11160-11165. 2007
Heterogeneous chemistry of butanol and decanol with sulfuric acid: implications for secondary organic aerosol formation.. 110:13215-13220. 2006
Origin of the single chain magnet behavior of the Co(H2L)(H2O) compound with a 1D structure.. 110:14003-14012. 2006
Molecular electrostatic potential devices on graphite and silicon surfaces.. 110:12298-12302. 2006
Platinum testbeds: interaction with oxygen.. 110:11968-11974. 2006
Spectroscopic and computational studies of the intramolecular hydrogen bonding of 2-indanol.. 110:12292-12297. 2006
Dissolution of oxygen reduction electrocatalysts in an acidic environment: density functional theory study.. 110:9783-9787. 2006
Laser-induced fluorescence spectra, structure, and the ring-twisting and ring-bending vibrations of 1,4-benzodioxan in its S0 and S1(pi,pi*) states.. 110:9805-9815. 2006
Theoretical study on the properties of linear and cyclic amides in gas phase and water solution.. 110:9183-9193. 2006
Atmospheric oxidation mechanism of p-xylene: a density functional theory study.. 110:7728-7737. 2006
Perfluorobutane sulfonic acid hydration and interactions with O2 adsorbed on Pt3.. 110:4574-4581. 2006
Structural and reactivity properties of finite length cap-ended single-wall carbon nanotubes.. 110:2771-2775. 2006
Performance of multiplicity-based energy correctors for molecules containing second-row elements.. 110:4260-4265. 2006
Do B3LYP and CCSDT predict different hydrosilylation mechanisms? Influences of theoretical methods and basis sets on relative energies in ruthenium-silylene-catalyzed ethylene hydrosilylation.. 110:1416-1425. 2006
Does the decomposition of peroxydicarbonates and diacyl peroxides proceed in a stepwise or concerted pathway?. 110:2448-2454. 2006
Correlations of structure and rates of energy transfer for through-bond energy-transfer cassettes.. 110:20-27. 2006
Energy correctors for accurate prediction of molecular energies.. 110:1060-1064. 2006
Transmission of vibronic signals in molecular circuits.. 109:9712-9715. 2005
Improved morphed potentials for Ar-HBr including scaling to the experimentally determined dissociation energy.. 109:8168-8179. 2005
S0 ring-puckering potential energy function for coumaran.. 109:8290-8292. 2005
The OH-initiated oxidation of 1,3-butadiene in the presence of O2 and NO: a photolytic route to study isomeric selective reactivity.. 109:7915-7922. 2005
Trajectory study of supercollision relaxation in highly vibrationally excited pyrazine and CO2.. 109:7657-7666. 2005
Electronic structure and electron transport characteristics of a cobalt complex.. 109:6628-6633. 2005
A two transition state model for radical-molecule reactions: a case study of the addition of OH to C2H4.. 109:6031-6044. 2005
Photolysis of CBr4 and its transient solvent stabilized (CBr3+//Br-)solv ion pair.. 109:5984-5988. 2005
Investigation of the atmospheric oxidation pathways of bromoform and dibromomethane: Initiation via UV photolysis and hydrogen abstraction. 108:7247-7252. 2004
Resonant capture of low-energy electrons by gas-phase glycine: A quantum dynamics calculation. 108:7056-7062. 2004
Adsorption of O, OH, and H₂O on Pt-based bimetallic clusters alloyed with Co, Cr, and Ni. 108:6378-6384. 2004
Theoretical interpretation of intrinsic line widths observed in inelastic electron tunneling scattering experiments. 108:5142-5144. 2004
A Kr-BrH global minimum structure determined on the basis of potential morphing. 108:2884-2892. 2004
Mechanisms of Nonexponential Relaxation in Supercooled Glucose Solutions: the Role of Water Facilitation. 108:3699-3712. 2004
Nanosecond dynamics of single-molecule fluorescence resonance energy transfer. 108:2402-2404. 2004
Photodissociation of bromoform at 248 nm: Single and multiphoton processes. 108:1482-1488. 2004
A DFT Study of the Interstitial Chemical Shifts in Main Group Element Centered Hexazirconium Halide Clusters. 108:350-357. 2004
Vibrational spectra, ab initio calculations, and conformations of bicyclo[3.3.0]oct-1,5-ene. 108:403-408. 2004
Experimental study of NO reaction with isoprene hydroxyalkyl peroxy radicals. 107:11013-11019. 2003
Hydrogen and Oxygen Adsorption on Rh n (n = 16) Clusters. 107:10370-10380. 2003
Measurements of high-temperature silane pyrolysis using SiH₄IR emission and SiH₂ laser absorption. 107:10988-10995. 2003
Unusual magnetic behavior of six-coordinate, mixed-ligand Re(II) complexes: Origin of a strong temperature-independent paramagnetism. 107:11102-11111. 2003
Theoretical study of the alkoxy radicals derived from isoprene: Pressure- and temperature-dependent decomposition rates. 107:6408-6414. 2003
Theoretical thermochemistry: Ab initio heat of formation for hydroxylamine. 107:1077-1081. 2003
Associations of Lithium Alkyl Dicarbonates through OLiO Interactions. 106:9582-9594. 2002
Investigation of the atmospheric oxidation pathways of bromoform: Initiation via OH/Cl reactions. 106:6395-6400. 2002
Theoretical study of chloroalkenylperoxy radicals. 106:6415-6420. 2002
Femtosecond multicolor pump-probe study of ultrafast electron transfer of [(NH3)(5)(RuNCRuII)-N-III(CN)(5)](-) in aqueous solution. 106:4591-4597. 2002
Laser-induced fluorescence spectra and torsional potential energy functions of jet-cooled 4,4 '-dimethyl-trans-stilbene. 106:3479-3484. 2002
Solvation dynamics of the hydrated electron depends on its initial degree of electron delocalization. 106:2374-2378. 2002
Associations of Alkyl Carbonates: Intermolecular CHO Interactions. 105:9972-9982. 2001
Spectroscopic determination of the ring-twisting potential energy function of 1,3-cyclohexadiene and comparison with ab initio calculations. 105:10230-10236. 2001
A unified electron transfer model for the different precursors and excited states of the hydrated electron. 105:8434-8439. 2001
Delocalizing electrons in water with light. 105:8269-8272. 2001
Properties of small bimetallic Ni-Cu clusters. 105:7917-7925. 2001
Experimental and theoretical studies of isoprene reaction with NO3. 105:6471-6478. 2001
Far-infrared spectra, ab initio calculations, and the ring-puckering potential energy function of 2,3-dihydrofuran. 105:6894-6899. 2001
Theoretical study of hydroxyisoprene alkoxy radicals and their decomposition pathways. 105:3808-3815. 2001
Theoretical analysis of complementary molecular memory devices. 105:791-795. 2001
Vibrational Energy Gain in the 2 Bending Mode of Water via Collisions with Hot Pyrazine (E v ib = 37900 cm-1): Insights into the Dynamics of Energy Flow. 104:10304-10311. 2000
Experimental determination of vibrational potential energy surfaces and molecular structures in electronic excited states. 104:7715-7733. 2000
Theoretical studies of inorganic and organometallic reaction mechanisms. 16. Oxidative promotion of the migratory insertion of carbon monoxide in cyclopentadienylmethyldicarbonyliron (II). 104:7324-7332. 2000
Experimental and computational study of the OH-isoprene reaction: Isomeric branching and low-pressure behavior. 104:6609-6616. 2000
Kinetic studies of isoprene reactions initiated by chlorine atom. 104:6590-6596. 2000
Theoretical study of the thermal decomposition of N,N-diacyl-N,N-dialkoxyhydrazines:: A comparison of HF, MP2, and DFT. 104:6247-6252. 2000
Lowest electronic excited states of poly (para-cyclobutadienylenecyclopentadienylcobalt)butadiynylene. 104:5937-5941. 2000
Application of the Self-Assembled Monolayer (SAM) Model to Dithiophosphate and Dithiocarbamate Engine Wear Inhibitors. 104:2508-2524. 2000
Computationally efficient methodology to calculate C-H and C-X (X = F, Cl, and Br) bond dissociation energies in haloalkanes. 104:436-442. 2000
Far-infrared and Raman spectra of the ring-puckering vibration of 2,3-dihydrothiophene. One- and two-dimensional potential energy surfaces and the barrier to planarity. 103:8772-8776. 1999
Lowest energy states of small Pd clusters using density functional theory and standard ab initio methods. A route to understanding metallic nanoprobes. 103:7692-7700. 1999
Molecular current-voltage characteristics. 103:7883-7887. 1999
Multidimensional configuration-space models of the electronic factor in electron transfer by superexchange: Implications for models of biological electron transfer. 103:7345-7356. 1999
Graphitic edges and unpaired pi-electron spins. 103:5196-5210. 1999
Fluorescence excitation spectrum of OClO ((A)over-tilde(2)A(2)). 103:2097-2099. 1999
Far-infrared spectra and two-dimensional potential energy surfaces involving the ring-puckering vibration of 2,5-dihydrothiophene. 103:833-837. 1999
Structure and stability of palladium-carbon cations. 102:6307-6310. 1998
Detailed investigation of the femtosecond pump-probe spectroscopy of the hydrated electron. 102:6957-6966. 1998
Structure and stability of lanthanum-carbon cations. 102:641-645. 1998
Binding of nitric oxide to first-transition-row metal cations: An ab initio study. 101:8530-8539. 1997
Vibrational frequencies and conformational stability of 1,4-cyclohexanedione in the gas phase as studied by infrared and Raman spectroscopy and ab initio calculations. 101:8783-8787. 1997
Vibrational analysis of 1,3,3-trinitroazetidine using matrix isolation infrared spectroscopy and quantum chemical calculations. 101:7742-7748. 1997
Generalized molecular orbital theory .2.. 101:6936-6944. 1997
Ab initio calculations of the geometries and bonding energies of alkane and fluoroalkane complexes with tungsten pentacarbonyl. 101:4646-4652. 1997
Heterogeneous chemistry of HO2NO2 in liquid sulfuric acid. 101:3324-3330. 1997
Quantum control of NaI photodissociation reaction product states by ultrafast tailored light pulses. 101:3815-3822. 1997
Comparison of Hartree-Fock, density functional, Moller-Plesset perturbation, coupled cluster, and configuration interaction methods for the migratory insertion of nitric oxide into a cobalt-carbon bond. 101:1360-1365. 1997
Nonintuitive asymmetry in the three-body photodissociation of CH3COCN. 101:9224-9232. 1997
OH/OD initiated oxidation of isoprene in the presence of O₂ and NO. 108:10688-10697.
Photodissociation of ClONO₂ at 235 nm:: Final product yields and energy partitioning. 106:1004-1010.
Primary and secondary processes in the photodissociation of CHBr₃. 104:10085-10091.
Rotational Distributions and Imaging of Singlet O2 Following Spin-Forbidden Photodissociation of O3.. 127:7101-7114.
Theoretical calculation of ClONO₂ and BrONO₂ bond dissociation energies. 107:888-896.
Theoretical study of OH-O₂-isoprene peroxy radicals. 105:471-477.

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