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• 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
• 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
• 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..  5907-5916. 2020
• Anomalous Intensities in the 2+1 REMPI Spectrum of the E 1-X 1+ Transition of CO..  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
• Theoretical Study of Structures and Ring-Puckering Potential Energy Functions of Bicylo[3.1.0]hexane and Related Molecules..  122:5970-5977. 2018
• Guest Molecules in a Layered Microporous Tin(IV) Phosphonate-Phosphate Material: Solid State NMR Studies..  9901-9909. 2018
• 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
• Luminescence of Molecular Nitrogen Nanoclusters Containing Stabilized Atoms..  121:9045-9057. 2017
• Microwave Spectra, Structure, and Ring-Puckering Vibration of Octafluorocyclopentene..  120:8686-8690. 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
• Mechanism of Ethylene Addition to Nickel Bis(oxothiolene) and Nickel Bis(dioxolene) Complexes..  120:7561-7568. 2016
• Canonical Force Distributions in Pairwise Interatomic Interactions from the Perspective of the Hellmann-Feynman Theorem..  120:3718-3725. 2016
• Canonical Approaches to Applications of the Virial Theorem..  120:817-823. 2016
• Role of Organic Hydrocarbons in Atmospheric Ice Formation via Contact Freezing..  10169-10180. 2016
• Spectroscopic and Theoretical Study of the Intramolecular -Type Hydrogen Bonding and Conformations of 2-Cyclohexen-1-ol..  120:74-80. 2016
• Anharmonic Vibrational Analysis of the Infrared and Raman Gas-Phase Spectra of s-trans- and s-gauche-1,3-Butadiene..  119:10706-10723. 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
• Local Mode Approach to OH Stretch Spectra of Benzene-(H2O)n Clusters, n = 2-7..  9917-9930. 2015
• Modeling the CH Stretch Vibrational Spectroscopy of M(+)[Cyclohexane] (M = Li, Na, and K) Ions..  10293-10299. 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
• 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..  10036-10047. 2014
• The (E + A) (e + a) Jahn-Teller and pseudo-Jahn-Teller Hamiltonian including spin-orbit coupling for trigonal systems..  11962-11970. 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
• Ab initio study of the lowest-lying electronic states of LuCl molecules..  116:12123-12128. 2012
• Bis-trifluoromethyl effect: doubled transitions in the rotational spectra of hexafluoroisobutene, (CF3)2CCH2..  116:8169-8175. 2012
• Heterogeneous reactions of epoxides in acidic media..  116:6078-6090. 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)..  476-482. 2012
• High-accuracy extrapolated ab initio thermochemistry of the vinyl, allyl, and vinoxy radicals..  7668-7676. 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
• Effect of pH on methylene blue transient states and kinetics and bacteria photoinactivation..  115:2702-2707. 2011
• Ion imaging study of NO3 radical photodissociation dynamics: characterization of multiple reaction pathways..  115:3218-3226. 2011
• Comparative studies of the trans-cis photoisomerizations of azobenzene and a bridged azobenzene..  115:244-249. 2011
• Correction to Ion Pair Formation in Multiphoton Excitation of NO₂ Using Linearly and Circularly Polarized Femtosecond Light Pulses: Kinetic Energy Distribution and Fragment Recoil Anisotropy.  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
• 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
• Theoretical Infrared and Terahertz Spectra of an RDX/Aluminum Complex.  114:7815-7815. 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
• 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
• Theoretical infrared and terahertz spectra of an RDX/aluminum complex..  114:2284-2292. 2010
• Thermal decomposition pathways of hydroxylamine: theoretical investigation on the initial steps..  9262-9269. 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
• 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
• 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
• Enhanced enthalpies of formation from density functional theory through molecular reference states..  112:13706-13711. 2008
• 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
• 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
• 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
• 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
• Performance of multiplicity-based energy correctors for molecules containing second-row elements..  110:4260-4265. 2006
• Structural and reactivity properties of finite length cap-ended single-wall carbon nanotubes..  110:2771-2775. 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
• 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
• OH/OD Initiated Oxidation of Isoprene in the Presence of O₂ and NO.  108:10688-10697. 2004
• 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
• Molecular Dynamics with Molecular Temperature.  108:6100-6108. 2004
• Theoretical Interpretation of Intrinsic Line widths Observed in Inelastic Electron Tunneling Scattering Experiments.  108:5142-5144. 2004
• A KrBrH Global Minimum Structure Determined on the Basis of Potential Morphing.  108:2884-2892. 2004
• Nanosecond Dynamics of Single-Molecule Fluorescence Resonance Energy Transfer.  108:2402-2404. 2004
• Performance of Density Functionals with Small Split Valence Basis Sets.  108:2904-2911. 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.  350-357. 2004
• Mechanisms of Nonexponential Relaxation in Supercooled Glucose Solutions: the Role of Water Facilitation.  3699-3712. 2004
• A Two-Dimensional Potential Energy Surface and Associated Quantum States for the Ring-Puckering Vibrations of Two Equivalent Rings: A Study of Bicyclo[3.3.0]oct-1,5-ene.  108:409-416. 2004
• Vibrational Spectra, Ab Initio Calculations, and Conformations of Bicyclo[3.3.0]oct-1,5-ene.  108:403-408. 2004
• Density Functional Calculations, Structure, and Vibrational Frequencies of 2-Cyclopenten-1-one in Its S₀, S₁(n,*), T₁(n,*), and T₂(,*) States.  107:10655-10659. 2003
• 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
• Lowest n,* Triplet State of 2-Cyclopenten-1-one: Cavity Ringdown Absorption Spectrum and Ring-Bending Potential-Energy Function.  107:10648-10654. 2003
• Measurements of High-Temperature Silane Pyrolysis Using SiH₄ IR 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
• Detailed Mechanism for TransCis Photoisomerization of Butadiene Following a Femtosecond-Scale Laser Pulse.  107:8817-8824. 2003
• Theoretical Study of the Alkoxy Radicals Derived from Isoprene: Pressure- and Temperature-Dependent Decomposition Rates.  107:6408-6414. 2003
• Theoretical Calculation of ClONO₂ and BrONO₂ Bond Dissociation Energies.  107:888-896. 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 PumpProbe Study of Ultrafast Electron Transfer of [(NH₃)₅Ru^IIINCRu^II(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
• Photodissociation of ClONO₂ at 235 nm: Final Product Yields and Energy Partitioning.  106:1004-1010. 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 NiCu 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
• First Principles Calculation of pK_a Values for 5-Substituted Uracils.  105:274-280. 2001
• Theoretical Study of OHO₂Isoprene Peroxy Radicals.  105:471-477. 2001
• Primary and Secondary Processes in the Photodissociation of CHBr₃.  104:10085-10091. 2000
• Solvent Effects on Vibrational Coherence and Ultrafast Reaction Dynamics in the Multicolor PumpProbe Spectroscopy of Intervalence Electron Transfer.  104:10637-10644. 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 OHIsoprene Reaction: Isomeric Branching and Low-Pressure Behavior.  104:6609-6616. 2000
• Kinetic Studies of Isoprene Reactions Initiated by Chlorine Atom.  104:6590-6596. 2000
• Infrared and ab Initio Study of the Relative Stability and Geometry of the 3-FluoropropeneHydrogen Chloride van der Waals Complexes.  104:5222-5229. 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.  2508-2524. 2000
• Theoretical Study of the Thermal Decomposition of N,N-Diacyl-N,N-Dialkoxyhydrazines: A Comparison of HF, MP2, and DFT.  6247-6252. 2000
• Computationally Efficient Methodology to Calculate CH and CX (X = F, Cl, and Br) Bond Dissociation Energies in Haloalkanes.  104:436-442. 2000
• Far-Infrared and Raman Spectra and Vibrational Potential Energy Surface for the Ring-Puckering and Ring-Flapping of Coumaran.  104:275-279. 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 CurrentVoltage 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
• Far-Infrared Spectra and Two-Dimensional Potential Energy Surfaces Involving the Ring-Puckering Vibration of 2,5-Dihydrothiophene.  103:833-837. 1999
• Fluorescence Excitation Spectrum of OClO (²A₂).  103:2097-2099. 1999
• Far-Infrared, Combination Band, and Raman Spectra of the Ring-Puckering Vibration of 1,4-Disilacyclohexa-2,5-diene.  102:10261-10264. 1998
• Detailed Investigation of the Femtosecond PumpProbe Spectroscopy of the Hydrated Electron.  102:6957-6966. 1998
• Structure and Stability of PalladiumCarbon Cations.  102:6307-6310. 1998
• Prediction of the Reactive Intermediates in Alkane Activation by Tris(pyrazolyl borate)rhodium Carbonyl.  102:1963-1964. 1998
• Structure and Stability of LanthanumCarbon Cations.  102:641-645. 1998
• Nonintuitive Asymmetry in the Three-Body Photodissociation of CH₃COCN.  101:9224-9232. 1997
• 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 II.  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 HartreeFock, Density Functional, MllerPlesset Perturbation, Coupled Cluster, and Configuration Interaction Methods for the Migratory Insertion of Nitric Oxide into a CobaltCarbon Bond.  101:1360-1365. 1997

Identity

International Standard Serial Number (ISSN)

• 1089-5639