Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.41 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

10171 - 10185	The short story of my life and my career in quantum propagation Wyatt RE
10186 - 10190	On the importance of the classically forbidden region in calculations of the relaxation rate for high-frequency vibrations: A model calculation Herman MF, Ding F
10191 - 10195	HN2((2)A(')) electronic manifold. I. A global ab initio study of first two states Mota VC, Varandas AJC
10196 - 10204	Generalization of classical mechanics for nuclear motions on nonadiabatically coupled potential energy surfaces in chemical reactions Takatsuka K
10205 - 10211	Dissociative double ionization of CO2: Dynamics, energy levels, and lifetime Sharma V, Bapat B, Mondal J, Hochlaf M, Giri K, Sathyamurthy N
10212 - 10219	Photoinduced vibrational coherence transfer in molecular dimers Kilin DS, Prezhdo OV, Schreiber M
10220 - 10225	Vibrational levels of Ar-4: New odd-parity bosonic states Wang XG, Carrington T
10226 - 10233	Quantum trajectories from a discrete - Variable representation method Gonzalez MF, Gimenez X, Gonzalez-Aguilar J, Bofill JM
10234 - 10250	Analysis of barrier scattering with real and complex quantum trajectories Rowland BA, Wyatt RE
10251 - 10255	Stabilization of quantum energy flows within the approximate quantum trajectory approach Garashchuk S, Rassolov V
10256 - 10262	Independent trajectory implementation of the semiclassical liouville method: Application to multidimensional reaction dynamics Roman E, Martens CC
10263 - 10268	Reduced-order modeling, error estimation, and the role of the start-vector: The recursive residue generation method revisited Karlsson HO
10269 - 10283	A hybrid hydrodynamic-liouvillian approach to mixed quantum-classical dynamics: Application to Tunneling in a double well Hughes KH, Parry SM, Parlant G, Burghardt I
10284 - 10291	Solid-solid structural transformations in lennard-jones clusters: Accurate simulations versus the harmonic superposition approximation Sharapov VA, Mandelshtam VA
10292 - 10301	Representing and selecting vibrational angular momentum states for quasiclassical trajectory chemical dynamics simulations Lourderaj U, Martinez-Nunez E, Hase WL
10302 - 10312	Nearside-farside and local angular momentum analyses of time-independent scattering amplitudes for the h+D-2 (v(i)=0,j(i)=0) -> HD (v(f)=3,j(f)=0)+D reaction Monks PDD, Connor JNL, Althorpe SC
10313 - 10324	Quantum wavepacket ab initio molecular dynamics: An approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects Sumner I, Iyengar SS
10325 - 10330	Quantum dynamics with Bohmian trajectories Deckert DA, Duerr D, Pickl P
10331 - 10337	Thermochemistry and accurate quantum reaction rate calculations for H-2/HD/D-2 + CH3 Nyman G, van Harrevelt R, Manthe U
10338 - 10344	Langevin dynamics simulations of the diffusion of molecular knots in tensioned polymer chains Huang L, Makarov DE
10345 - 10352	Thermodynamics of atomic clusters using variational quantum hydrodynamics Derrickson SW, Bittner ER
10353 - 10361	Analysis of the HO2 vibrational spectrum on an accurate ab initio potential energy surface Xu CX, Jiang B, Xie DQ, Farantos SC, Lin SY, Guo H
10362 - 10368	The shape of the potential energy surface and the thermal rate coefficients of the n + N-2 reaction Garcia E, Saracibar A, Lagana A, Skouteris A
10369 - 10375	Quantum dynamical simulation of electron-transfer reactions in an anharmonic environmen Wang H, Thoss M
10376 - 10380	Phase space analysis of formaldehyde dissociation branching and comparison with quasiclassical trajectory calculations Farnum JD, Bowman JM
10381 - 10389	Effects of microsolvation on the adenine-uracil base pair and its radical anion: Adenine-uracil mono- and dihydrates Kim S, Schaefer HF
10390 - 10399	Scaled density functional theory correlation functionals Ghouri MM, Singh S, Ramachandran B
10400 - 10408	Reconciling semiclassical and bohmian mechanics: IV. multisurface dynamics Poirier B, Parlant G
10409 - 10415	Why are some ML2 molecules (M = Ca, Sr, Ba; L = H, F, Cl, Br) bent while others are linear? Implications of the pseudo Jahn-Teller effect Garcia-Fernandez P, Bersuker IB, Boggs JE
10416 - 10421	Unified derivation of bohmian methods and the incorporation of interference effects Goldfarb Y, Schiff J, Tannor DJ
10422 - 10425	Atomic correlation energy from the electron density at the nucleus Liu S, Parr RG
10426 - 10433	Variational calculation of specific, highly excited vibrational states in DFCO: Comparison with experimental data Iung C, Pasin G