Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.116, No.46 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (46 articles)

11041 - 11063	Tribute to Jorn Manz Gonzalez L, Kuhn O, Saalfrank P
11064 - 11074	Buildup and Decay of the Optical Absorption in the Ultrafast Photo-Generation and Reaction of Benzhydryl Cations in Solution Fingerhut BP, Sailer CF, Ammer J, Riedle E, de Vivie-Riedle R
11075 - 11082	Electron Mobilities of n-Type Organic Semiconductors from Time-Dependent Wavepacket Diffusion Method: Pentacenequinone Derivatives Zhang WW, Zhong XX, Zhao Y
11083 - 11087	Photodissociation of N2O: Excitation of (1)A'' States Schinke R, Schmidt JA
11088 - 11094	Monosaccharide-Water Complexes: Vibrational Spectroscopy and Anharmonic Potentials Jin L, Simons JP, Gerber RB
11095 - 11100	Probing Ring Currents in Mg-Porphyrins by Pump-Probe Spectroscopy Rodriguez JJ, Mukamel S
11101 - 11106	Rovibrational Dynamics of RbCs on its Lowest (1,3)Sigma(+) Potential Curves Calculated by Coupled Cluster Method with All-Electron Basis Set Yang YG, Liu XM, Zhao YT, Xiao LT, Jia ST
11107 - 11110	Remarks on the Validity of the Fixed Nuclei Approximation in Quantum Electron Dynamics Ulusoy IS, Nest M
11111 - 11117	Role of Rydberg States in the Photostability of Heterocyclic Dimers: The Case of Pyrazole Dimer Zilberg S, Haas Y
11118 - 11127	Reduced and Exact Quantum Dynamics of the Vibrational Relaxation of a Molecular System Interacting with a Finite-Dimensional Bath Bouakline F, Luder F, Martinazzo R, Saalfrank P
11128 - 11133	Relativistic Effects in Photon-Induced Near Field Electron Microscopy Park ST, Zewail AH
11134 - 11139	Harmonic Bath Averaged Hamiltonian: An efficient Tool To Capture Quantum Effects of Large Systems Yang YG, Liu XM, Meuwly M, Xiao LT, Jia ST
11140 - 11150	Vibronic Coupling Effects in Resonant Auger Spectra of H2O Eroms M, Jungen M, Meyer HD
11151 - 11160	UV Absorption Spectrum of Alternating DNA Duplexes. Analysis of Excitonic and Charge Transfer Interactions Plasser F, Aquino AJA, Hase WL, Lischka H
11161 - 11166	Quasi-Classical Theory of Electronic Flux Density in Electronically Adiabatic Molecular Processes Diestler DJ
11167 - 11179	Early-Stage Dynamics in Coupled Proton-Electron Transfer from the pi-pi* State of Phenol to Solvent Ammonia Clusters: A Nonadiabatic Electron Dynamics Study Nagashima K, Takatsuka K
11180 - 11188	Hydrogen Bond Geometries and Proton Tautomerism of Homoconjugated Anions of Carboxylic Acids Studied via H/D Isotope Effects on C-13 NMR Chemical Shifts Guo J, Tolstoy PM, Koeppe B, Golubev NS, Denisov GS, Smirnov SN, Limbach HH
11189 - 11198	Pyridinylidene-Phenoxide in Strong Electric Fields: Controlling Orientation, Conical Intersection, and Radiation-Less Decay Belz S, Zilberg S, Berg M, Grohmann T, Leibscher M
11199 - 11210	Semiclassical Hybrid Approach to Condensed Phase Molecular Dynamics: Application to the I2Kr17 Cluster Buchholz M, Goletz CM, Grossmann F, Schmidt B, Heyda J, Jungwirth P
11211 - 11218	New Insight into CO Photodesorption from C-60 Mitschker J, Kluner T
11219 - 11227	Optimal Control Simulation of Field-Free Molecular Orientation: Alignment-Enhanced Molecular Orientation Nakajima K, Abe H, Ohtsuki Y
11228 - 11240	Non-Resonant Dynamic Stark Control at a Conical Intersection: The Photodissociation of Ammonia Richings GW, Worth GA
11241 - 11248	Simulating a Molecular Machine in Action Raeker T, Carstensen NO, Hartke B
11249 - 11259	Vibrational Dynamics of the CH4 center dot F(-)Complex Wodraszka R, Palma J, Manthe U
11260 - 11272	Laser-Polarization Effects on Coherent Vibronic Excitation of Molecules with Quasi-Degenerate Electronic States Kanno M, Ono Y, Kono H, Fujimura Y
11273 - 11282	Control in a Dissipative Environment: The Example of a Cope Rearrangement Chenel A, Dive G, Meier C, Desouter-Lecomte M
11283 - 11303	Translational Effects on Electronic and Nuclear Ring Currents Barth I
11304 - 11310	Pump Probe Scheme To Study the Autoionization Decay of Optically-Forbidden H-2 Doubly Excited States Riviere P, Silva REF, Martin F
11311 - 11318	Ultrafast Predissociation Mechanism of the (1)Pi(u) States of N-14(2) and Its Isotopomers upon Attosecond Excitation from the Ground State Muskatel BH, Remacle F, Levine RD
11319 - 11329	Spin-Orbit Treatment of UV-vis Absorption Spectra and Photophysics of Rhenium(I) Carbonyl-Bipyridine Complexes: MS-CASPT2 and TD-DFT Analysis Heydova R, Gindensperger E, Romano R, Sykora J, Vlcek A, Zalis S, Daniel C
11330 - 11340	Supramolecular Complex Coupled to a Metal Nanoparticle: Computational Studies on the Optical Absorption Zelinskyy Y, Zhang Y, May V
11341 - 11346	Selective Probing of Vibrational Hot States in Bromine Using Time-Resolved Coherent Anti-Stokes Raman Scattering Namboodiri M, Liebers J, Kleinekathofer U, Materny A
11347 - 11354	High Fidelity Quantum Gates with Vibrational Qubits Berrios E, Gruebele M, Shyshlov D, Wang L, Babikov D
11355 - 11360	Electron Density Dynamics in the Electronic Ground State: Motion Along the Kekule Mode of Benzene Schild A, Choudhary D, Sambre VD, Paulus B
11361 - 11369	IR Spectrum of FHF- and FDF- Revisited Using a Spectral Method in Four Dimensions Perez-Hernandez G, Gonzalez-Vazquez J, Gonzalez L
11370 - 11387	NMR Studies of Solid Pentachlorophenol-4-Methylpyridine Complexes Exhibiting Strong OHN Hydrogen Bonds: Geometric H/D Isotope Effects and Hydrogen Bond Coupling Cause Isotopic Polymorphism Ip BCK, Shenderovich IG, Tostoy PM, Frydel J, Denisov GS, Buntkowsky G, Limbach HH
11388 - 11397	State-Selective Vibrational Excitation and Dissociation of H-2(+) by Strong Infrared Laser Pulses: Below-Resonant versus Resonant Laser Fields and Electron-Field Following Paramonov GK, Kuhn O
11398 - 11405	Effect of Nuclear Motion on Molecular High Order Harmonic Pump Probe Spectroscopy Bredtmann T, Chelkowski S, Bandrauk AD
11406 - 11413	Compact MCTDH Wave Functions for High-Dimensional System-Bath Quantum Dynamics Bonfanti M, Tantardini GF, Hughes KH, Martinazzo R, Burghardt I
11414 - 11426	Application of Heisenberg's S Matrix Program to the Angular Scattering of the H + D-2(v(i)=0, j(i)=0) -> HD(v(f)=3, j(f)=0) + D Reaction: Piecewise S Matrix Elements Using Linear, Quadratic, Step-Function, and Top-Hat Parametrizations Shan X, Connor JNL
11427 - 11433	Quantum Wave-Packet Dynamics in Spin-Coupled Vibronic States Falge M, Engel V, Lein M, Vindel-Zandbergen P, Chang BY, Sola IR
11434 - 11440	Control of Nuclear Dynamics with Strong Ultrashort Laser Pulses Geissler D, Marquetand P, Gonzalez-Vazquez J, Gonzalez L, Rozgonyi T, Weinacht T
11441 - 11450	Electronic Excited State Paths of Stone-Wales Rearrangement in Pyrene: Roles of Conical Intersections Yamazaki K, Niitsu N, Nakamura K, Kanno M, Kono H
11451 - 11458	Quantum Chemical Parametrization and Spectroscopic Characterization of the Frenkel Exciton Hamiltonian for a J-Aggregate Forming Perylene Bisimide Dye Ambrosek D, Kohn A, Schulze J, Kuhn O
11459 - 11466	Optimal White Light Control of the Negative to Neutral to Positive Charge Transition (NeNePo) in the Electronic Manifold of the Silver Trimer Schmidt BE, Gause O, Hagemann F, Li S, Unrau W, Woste L, Siebert T
11467 - 11475	Photoinduced Dynamics of Formic Acid Monomers and Dimers: The Role of the Double Hydrogen Bond Novak J, Malis M, Prlj A, Ljubic I, Kuhn O, Doslic N