Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.119, No.50 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (65 articles)

11949 - 11950	SPECIAL ISSUE: DYNAMICS OF MOLECULAR COLLISIONS XXV: FIFTY YEARS OF CHEMICAL REACTION DYNAMICS Preface Guo H, Suits AG
11951 - 11962	Accurate Time-Dependent Wave Packet Calculations for the O+ + H-2 -> OH+ + H Ion-Molecule Reaction Bulut N, Castillo JF, Jambrina PG, Klos J, Roncero O, Aoiz FJ, Banares L
11963 - 11972	Dissociative Photoionization of He center dot center dot center dot Li-2: A Theoretical Study Saidi S, Berriche H, Halberstadt N
11973 - 11982	CH+ Destruction by Reaction with H: Computing Quantum Rates To Model Different Molecular Regions in the Interstellar Medium Bovino S, Grassi T, Gianturco FA
11983 - 11988	Imaging the Effect of Reactant Rotations on the Dynamics of the Cl + CHD3(v(1)=1, vertical bar J,K >) Reaction Wang FY, Pan HL, Liu KP
11989 - 11996	Bridging the Gap between the Gas Phase and Solution Phase: Solvent Specific Photochemistry in 4-tert-Butylcatechol Horbury MD, Baker LA, Quan WD, Young JD, Staniforth M, Greenough SE, Stavros VG
11997 - 12004	Zero Kinetic Energy Photoelectron Spectroscopy of Benzo[h]quinoline Harthcock C, Zhang J, Kong W
12005 - 12014	Competing C-Br and O-NO Photofission upon Excitation of BrCH2CH2ONO at 193 nm Wang L, Scrape PG, Roberts TD, Joshi PP, Butler LJ
12015 - 12027	Reduced-Dimensionality Semiclassical Transition State Theory: Application to Hydrogen Atom Abstraction and Exchange Reactions of Hydrocarbons Greene SM, Shan X, Clary DC
12028 - 12035	Infrared Laser Spectroscopy of the L-Shaped Cl-HCl Complex Formed in Superfluid He-4 Nanodroplets Moradi CP, Douberly GE
12036 - 12042	Differential Cross Sections for the H + D-2 -> HD(v'=3, j'=4-10) + D Reaction above the Conical Intersection Gao H, Sneha M, Bouakline F, Althorpe SC, Zare RN
12043 - 12051	Resonances of HCO Computed Using an Approach Based on the Multiconfiguration Time-Dependent Hartree Method Ndengue SA, Dawes R, Gatti F, Meyer HD
12052 - 12061	Quantum, Statistical, and Quasiclassical Trajectory Studies For the Ne + HeH+ -> NeH+ + He Reaction on the Ground Electronic State Koner D, Barrios L, Gonzalez-Lezana T, Panda AN
12062 - 12072	Full-Dimensional Quantum Dynamics of Vibrational Mediated Photodissociation of HOD in Its B Band Zhou LS, Xie DQ
12073 - 12081	Mechanism and Dynamics of Molecular Exchange at the Silica/Binary Solvent Mixtures Interface Karnes JJ, Benjamin I
12082 - 12089	Exchange and Inelastic OH+ + H Collisions on the Doublet and Quartet Electronic States Bulut N, Lique F, Roncero O
12090 - 12101	Vibrational Excitation of Both Products of the Reaction of CN Radicals with Acetone in Solution Dunning GT, Preston TJ, Greaves SJ, Greetham GM, Clark IP, Orr-Ewing AJ
12102 - 12108	Resonance-Enhanced 2-Photon Ionization Scheme for C-2 through a Newly Identified Band System: 4(3)Pi(g)-a(3)Pi(u) Krechkivska O, Bacskay GB, Troy TP, Nauta K, Kreuscher TD, Kable SH, Schmidt TW
12109 - 12118	Probing the Relationship Between Large-Amplitude Motions in H-5(+) and Proton Exchange Between H-3(+) and H-2 Lin Z, McCoy AB
12119 - 12130	Multiple-Timestep ab Initio Molecular Dynamics Using an Atomic Basis Set Partitioning Steele RP
12131 - 12137	Probing Rotational Motion in 4-tert-Butylcatechol through H Atom Photofragmentation: Deviations from Axial Recoil Staniforth M, Young JD, Stavros VG
12138 - 12145	A Symmetrical Quasi-Classical Spin-Mapping Model for the Electronic Degrees of Freedom in Non-Adiabatic Processes Cotton SJ, Miller WH
12146 - 12158	Performance of a Non-Local van der Waals Density Functional on the Dissociation of H-2 on Metal Surfaces Wijzenbroek M, Klein DM, Smits B, Somers MF, Kroes GJ
12159 - 12165	Simplified Representation of Partial and Total Rate Constants of Complex-Forming Bimolecular Reactions Troe J
12166 - 12181	H-2 Adsorption in a Porous Crystal: Accurate First-Principles Quantum Simulation D'Arcy JH, Jordan MJT, Frankcombe TJ, Collins MA
12182 - 12192	Kinetics of the Hydrogen Abstraction Reaction From 2-Butanol by OH Radical Zheng JJ, Oyedepo GA, Truhlar DG
12193 - 12208	Theoretical Study of FH2- Electron Photodetachment Spectra on New Ab Initio Potential Energy Surfaces Yu DQ, Chen J, Cong SL, Sun ZG
12209 - 12217	A Quasiclassical Study of the F(P-2) + CHD3 (nu(1)=0,1) Reactive System on an Accurate Potential Energy Surface Palma J, Manthe U
12218 - 12223	Gas-Phase Retro-Diels-Alder Reactions of Cyclohexene, 1-Methylcyclohexene, and 4-Methylcyclohexene following Photoexcitation at 193 nm: A Velocity-Map Imaging Study Gardiner SH, Lipciuc ML, Vallance C
12224 - 12230	Full-Dimensional Quantum Dynamical Studies of the Cl plus HOD -> HCl/DCl plus OD/OH Reaction: Bond Selectivity and Isotopic Branching Ratio Song HW, Lee SY, Lu YP, Guo H
12231 - 12237	Rotational Mode Specificity in the F- + CH3Y [Y = F and CI] S(N)2 Reactions Szabo I, Czako G
12238 - 12244	Capture of Hyperthermal CO2 by Amorphous Water Ice via Molecular Embedding Langlois GG, Li WX, Gibson KD, Sibener SJ
12245 - 12254	Influence of the Reactants Rotational Excitation on the H + D-2(v=0, j) Reactivity Aldegunde J, Jambrina PG, Gonzalez-Sanchez L, Herrero VJ, Aoiz FJ
12255 - 12262	Using Ion Imaging to Measure Velocity Distributions in Surface Scattering Experiments Harding DJ, Neugebohren J, Auerbach DJ, Kitsopoulos TN, Wodtke AM
12263 - 12269	Formation of the Hydroxyl Radical by Radiative Association Svensson SKM, Gustafsson M, Nyman G
12270 - 12283	Quantum Diffusion-Controlled Chemistry: Reactions of Atomic Hydrogen with Nitric Oxide in Solid Parahydrogen Ruzi M, Anderson DT
12284 - 12290	Effect of Reagent Vibrational Excitation on the Dynamics of F + H-2(v=1, j=0) -> HF(v', j') plus H Reaction Yang TG, Huang L, Wang T, Xiao CL, Xie YR, Sun ZG, Dai DX, Chen MD, Zhang DH, Yang XM
12291 - 12303	Importance of Geometric Phase Effects in Ultracold Chemistry Hazra J, Kendrick BK, Balakrishnan N
12304 - 12317	Trajectory and Model Studies of Collisions of Highly Excited Methane with Water Using an ab Initio Potential Conte R, Houston PL, Bowman JM
12318 - 12328	Ultraviolet Photodissociation Dynamics of the Allyl Radical via the (B)over-tilde(2)A(1)(3s), (C)over-tilde(2)B(2)(3p(y)), and (E)over-tilde(2)B(1)(3p(x)) Electronic Excited States Song Y, Lucas M, Alcaraz M, Zhang JS, Brazier C
12329 - 12338	Mixed Quantum/Classical Theory for Molecule-Molecule Inelastic Scattering: Derivations of Equations and Application to N-2 + H-2 System Semenov A, Babikov D
12339 - 12348	A Near-Threshold Shape Resonance in the Valence-Shell Photoabsorption of Linear Alkynes Jacovella U, Holland DMP, Boye-Peronne S, Gans B, de Oliveira N, Ito K, Joyeux D, Archer LE, Lucchese RR, Xu H, Pratt ST
12349 - 12356	Benzyl Radical Photodissociation Dynamics at 248 nm Shapero M, Cole-Filipiak NC, Haibach-Morris C, Neumark DM
12357 - 12366	DCI Transport through Dodecyl Sulfate Films on Salty Glycerol: Effects of Seawater Ions on Gas Entry Shaloski MA, Sobyra TB, Nathanson GM
12367 - 12375	Effect of Initial Vibrational-State Excitation on Subfemtosecond Photodynamics of Water Rao BJ, Varandas AJC
12376 - 12382	Solvated Electrons in Clusters: Magic Numbers for the Photoelectron Anisotropy West AHC, Yoder BL, Luckhaus D, Signorell R
12383 - 12391	On the Construction of Property Based Diabatizations: Diabolical Singular Points Zhu XL, Yarkony DR
12392 - 12403	Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: The D++H-2 Reaction on the Triple-Sheeted DMBE Potential Energy Surface Ghosh S, Sahoo T, Adhikari S, Sharma R, Varandas AJC
12404 - 12416	Rotational Orientation Effects in NO(X) plus Ar Inelastic Collisions Brouard M, Chadwick H, Gordon SDS, Hornung B, Nichols B, Aoiz FJ, Stolte S
12417 - 12433	One Million Quantum States of Benzene Halverson T, Poirier B
12434 - 12441	Substrate Vibrations as Promoters of Chemical Reactivity on Metal Surfaces Campbell VL, Chen N, Guo H, Jackson B, Utz AL
12442 - 12448	Bond-Selective and Mode-Specific Dissociation of CH3D and CH2D2 on Pt(111) Hundt PM, Ueta H, van Reijzen ME, Jiang B, Guo H, Beck RD
12449 - 12456	Ejection of Coulomb Crystals from a Linear Paul Ion Trap for Ion -Molecule Reaction Studies Meyer KAE, Pollum LL, Petralia LS, Tauschinsky A, Rennick CJ, Softley TP, Heazlewood BR
12457 - 12470	A Practical Diabatisation Scheme for Use with the Direct-Dynamics Variational Multi-Configuration Gaussian Method Richings GW, Worth GA
12471 - 12479	State-Specific Collision Dynamics of Molecular Super Rotors with Oriented Angular Momentum Murray MJ, Ogden HM, Toro C, Liu QN, Burns DA, Alexander MH, Mullin AS
12480 - 12484	Time-Dependent Wave Packet Study of the H-2 + CH3 -> H + CH4 Reaction Zhang ZJ, Chen J, Yang MH, Zhang DH
12485 - 12497	Dynamics of Complex-Forming Bimolecular Reactions: A Comparative Theoretical Study of the Reactions of H Atoms with O-2((3)Sigma(-)(g)) and O-2((1)Delta(g)) Szabo P, Lendvay G
12498 - 12511	Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(P-3) + Ethylene Reaction at High Collision Energy Balucani N, Leonori F, Casavecchia P, Fu BN, Bowman JM
12512 - 12516	Quantum Dynamics of the O-18+O-36(2) Collision Process Guillon G, Rao TR, Mahapatra S, Honvault P
12517 - 12525	Dynamics of the F- + CH3I -> HF + CH2I- Proton Transfer Reaction Zhang JX, Xie J, Hase WL
12526 - 12537	Inelastic Scattering of CO with He: Polarization Dependent Differential State-to-State Cross Sections Song L, Groenenboom GC, van der Avoird A, Bishwakarma CK, Sarma G, Parker DH, Suits AG
12538 - 12550	Single Nanoparticle Mass Spectrometry as a High Temperature Kinetics Tool: Sublimation, Oxidation, and Emission Spectra of Hot Carbon Nanoparticles Howder CR, Long BA, Gerlich D, Alley RN, Anderson SL
12551 - 12561	Raman Vibrational Shifts of Small Clusters of Hydrogen lsotopologues Schmidt M, Fernandez JM, Faruk N, Nooijen M, Le Roy RJ, Morilla JH, Tejeda G, Montero S, Roy PN
12562 - 12578	Combined Experimental and Theoretical Study on the Formation of the Elusive 2-Methyl-1-silacycloprop-2-enylidene Molecule under Single Collision Conditions via Reactions of the Silylidyne Radical (SiH; X-2 Pi) with Allene (H2CCCH2; X(1)A(1)) and D4-Allene (D2CCCD2; X(1)A(1)) Yang T, Dangi BB, Maksyutenko P, Kaiser RI, Bertels LW, Head-Gordon M
12579 - 12585	Effect of the Hydrogen Bond on Photochemical Synthesis of Silver Nanoparticles Zhao FJ, Liu L, Yang Y, Zhang RL, Ren GH, Xu DL, Zhou PW, Han KL