Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.12 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (52 articles)

2502 - 2508	State-to-state reactive scattering via real L-2 wave packet propagation for reduced dimensionality AB plus CD reactions Skokov S, Bowman JM
2509 - 2514	Quantum and classical connections and topological phases: A study of a perturbed rotator Baer M, Billing GD
2515 - 2521	Reactive and nonreactive quenching of OH(A (2)Sigma(+)) in collisions with H atoms Schatz GC, Fisher B, Grande W, Kumayama K, Pederson LA
2522 - 2529	Quantum dynamics of the CH4+H -> CH3+H-2 reaction: Full-dimensional and reduced dimensionality rate constant calculations Huarte-Larranaga F, Manthe U
2530 - 2534	Application of semirigid vibrating rotor target model to the reaction of O(P-3)+CH4 -> CH3+OH Wang ML, Li YM, Zhang JZH
2535 - 2545	IVR formulation of Miller's correspondence relations Kay KG
2546 - 2556	Mean-field molecular dynamics with surface hopping: Application to the aqueous solvated electron Wong KF, Rossky PJ
2557 - 2562	Infrared multiphoton dissociation of acetone in a molecular beam Berrie CL, Longfellow CA, Suits AG, Lee YT
2563 - 2567	Nonequilibrium solvation and the quantum Kramers problem: Proton transfer in aqueous glycine Karmacharya R, Antoniou D, Schwartz SD
2568 - 2574	Comparing models for diffusion in supercooled liquids: The eutectic composition of the Ag-Cu alloy Vardeman CF, Gezelter JD
2575 - 2581	The utility of constraining basis function indices when using the lanczos algorithm to calculate vibrational energy levels Wang XG, Carrington T
2582 - 2590	Model study of the acid-base proton-transfer reaction of the ClP center dot center dot center dot OH2 pair in low-polarity solvents Thompson WH, Hynes JT
2591 - 2598	Semiclassical dynamics in the coherent control of nonadiabatic ICN photodissociation Batista VS, Brumer P
2599 - 2603	Correlation functions and thermal rate constants Karlsson HO, Goscinski O
2604 - 2611	On the effect of initial rotation on reactivity. A multi-configuration time-dependent Hartree (MCTDH) wave packet propagation study on the H+D-2 and D+H-2 reactive scattering systems Sukiasyan S, Meyer HD
2612 - 2616	Brief comments on perturbation theory of a nonsymmetric matrix: The GF matrix Marcus RA
2617 - 2625	A hamiltonian with a subset of normal modes for studying mode-specific energy transfer in intermolecular collisions Yan TY, Hase WL
2626 - 2633	Theoretical description of secondary emission reflecting ultrafast nonadiabatic isomerization Hahn S, Stock G
2634 - 2641	Highly excited bound and low-lying resonance states of H2O Gray SK, Goldfield EM
2642 - 2645	Symmetry friend or foe: Confluences of conical intersection seams in tetra-atomic molecules Yarkony DR
2646 - 2651	Dynamical aspects of isomerization and melting transitions in [H2O](8) Laria D, Rodriguez J, Dellago C, Chandler D
2652 - 2659	Semiclassical theory for tunneling of electrons interacting with media Burin AL, Berlin YA, Ratner MA
2660 - 2667	Complete electron nuclear dynamics Deumens E, Ohrn Y
2668 - 2676	Fingerprints of a classical resonance on the eigenlevel dynamics of the corresponding quantum hamiltonian Keshavamurthy S
2677 - 2679	A relationship between electron-transfer rates and molecular conduction Nitzan A
2680 - 2686	Rotational relaxation in a nondipolar supercritical fluid: Toluene in CO2 Siavosh-Haghighi A, Adams JE
2687 - 2693	Fast numerical integrator for stochastic differential equations with nonstationary multiplicative noise Hershkovitz E, Hernandez R
2694 - 2707	A quantum study on the reaction between C(P-3) and acetylene Buonomo E, Clary DC
2708 - 2715	Electron-nuclear coupling in the classical limit for the electronic degrees of freedom Remacle F, Levine RD
2716 - 2730	Interlocking triplet electronic states of isocyanic acid: Sources of nonadiabatic photofragmentation dynamics Valeev EF, Allen WD, East ALL, Csaszar AG, East ALL
2731 - 2737	Predominance of nonequilibrium dynamics in the photodissociation of ketene in the triplet state Kaledin AL, Seong J, Morokuma K
2738 - 2747	Time-dependent reactive scattering of the H-+H-2 <-> H-2+H-system Jaquet R, Heinen M
2748 - 2755	Explosive boiling of water films adjacent to heated surfaces: A microscopic description Dou YS, Zhigilei LV, Winograd N, Garrison BJ
2756 - 2763	Toward polyatomic wave packet decomposition: Final state effects Resch K, Blanchet V, Stolow A, Seideman T
2764 - 2769	The regularized resolvent transform for quantum dynamics calculations Mandelshtam VA
2770 - 2782	Photodissociation dynamics of molecular fluorine in an argon matrix induced by ultrashort laser pulses Chaban G, Gerber RB, Korolkov MV, Hanz J, Niv MY, Schmidt B
2783 - 2791	Direct and chaotic ionization in the presence of external fields: The transition-state theory point of view Jaffe C, Uzer T
2792 - 2802	Nearside-farside analysis of differential cross sections: Ar+HF rotationally inelastic scattering Whiteley TWJ, Noli C, Connor JNL
2803 - 2813	Semiclassical quantization rising invariant tori: A gradient-descent approach Tannenbaum E, Heller EJ
2814 - 2823	A multi-state empirical valence bond model for weak acid dissociation in aqueous solution Cuma M, Schmitt UW, Voth GA
2824 - 2833	Quantum rate constants from short-time dynamics: An analytic continuation approach Sim E, Krilov G, Berne BJ
2834 - 2841	Scaling rules for resonance dynamics near a saddle point: The pendulum as a zero-order model Jacobson MP, Child MS
2842 - 2850	Classical fluctuating charge theories: The maximum entropy valence bond formalism and relationships to previous models Morales J, Martinez TJ
2851 - 2857	Finite temperature correlation functions via forward-backward semiclassical dynamics Jezek E, Makri N
2858 - 2866	Classical trajectory study of energy transfer in pyrazine-CO collisions Higgins C, Ju Q, Seiser N, Flynn GW, Chapman S
2867 - 2878	A theoretical study on chirped coherent Raman spectroscopy Mishima K, Yamashita K
2879 - 2884	Modeling proton mobility in acidic zeolite clusters. 3. A sudden approximation via semiclassical rate theory Fermann JT, Auerbach SM
2885 - 2889	Quantum-classical dynamics in a classical bath Kapral R
2890 - 2896	An eikonal treatment of electronically diabatic photodissociation: Branching ratios of CH3I Micha DA, Stodden CD
2897 - 2902	On the origin of pulse shaping control of molecular dynamics Shapiro M, Brumer P
2903 - 2910	Out-of-plane modes of cis-1,3,5-hexatriene: Frequency shifts in the 2(1)A(1) and 1(1)B(1) excited states Woywod C, Snyder JA, Frederick JH
2911 - 2924	Absorption and fluorescence excitation spectra of 9-(N-carbazolyl)-anthracene: Effects of intramolecular vibrational redistribution and diabatic transitions involving electron transfer Evers F, Giraud-Girard J, Grimme S, Manz J, Monte C, Oppel M, Rettig W, Saalfrank P, Zimmermann P