화학공학소재연구정보센터

Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.103, No.47 Entire volume, number list
ISSN: 1089-5639 (Print) 

In this Issue (24 articles)

9383 - 9383 Workshop on time-dependent quantum molecular dynamics
Voth GA
9384 - 9387 Generalization of the linearized approximation to the semiclassical initial value representation for reactive flux correlation functions
Miller WH
9388 - 9398 A direct transition state theory based study of methyl radical recombination kinetics
Klippenstein SJ, Harding LB
9399 - 9407 Improvement of the internal consistency in trajectory surface hopping
Fang JY, Hammes-Schiffer S
9408 - 9416 Time-domain and tunneling pictures of nonadiabatic induced electron ejection in molecular anions
Simons J
9417 - 9422 Short-range coherence in the energy transfer of photosynthetic light-harvesting systems
Ray J, Makri N
9423 - 9431 Electron dynamics in dendrimers
Elicker TS, Evans DG
9432 - 9447 Computer simulation of the excited state dynamics of betaine-30 in acetonitrile
Lobaugh J, Rossky PJ
9448 - 9459 Quantum wave packet study of nonadiabatic effects in O(D-1)+H-2 -> OH+H
Gray SK, Petrongolo C, Drukker K, Schatz GC
9460 - 9468 Electronic coherence in mixed-valence systems: Spectral analysis
Jung YJ, Silbey RJ, Cao JS
9469 - 9474 Semiclassical wave packet dynamics with electronic structure computed on the fly: Application to photophysics of electronic excited states in condensed phase
Cardenas AE, Krems R, Coalson RD
9475 - 9478 Propagation matrices from the finite element method
Jensen BR, Linderberg J
9479 - 9486 Forward-backward semiclassical dynamics with linear scaling
Shao JS, Makri N
9487 - 9493 Forward-backward semiclassical calculation of spectral line shapes: I-2 in a rare gas cluster
Kuhn O, Makri N
9494 - 9499 Quantum dynamics and vibrational relaxation
Egorov SA, Everitt KF, Skinner JL
9500 - 9505 On obtaining reactive potential energy surfaces from transition state photodetachment spectra. I. Sensitivity analysis
Thompson WH
9506 - 9511 On obtaining reactive potential energy surfaces from transition state photodetachment spectra. II. Inversion of spectra in model systems
Thompson WH
9512 - 9520 Quantum molecular dynamics simulations of low-temperature high energy density matter: Solid p-H-2/Li and p-H-2/B
Jang S, Jang S, Voth GA
9521 - 9526 Dimensional strategies and the minimization problem: Barrier-avoiding algorithms
Faken DB, Voter AF, Freeman DL, Doll JD
9527 - 9538 A modification of path integral quantum transition state theory for asymmetric and metastable potentials
Jang S, Schwieters CD, Voth GA
9539 - 9544 Classical approximation to nonradiative electronic relaxation in condensed phase systems
Rabani E, Egorov SA, Berne BJ
9545 - 9551 Toward an ab initio treatment of the time-dependent Schrodinger equation of molecular systems
Ohrn Y, Deumens E
9552 - 9563 Vibrational dynamics of the I-3 radical: A semiempirical potential surface, and semiclassical calculation of the anion photoelectron spectrum
Margulis CJ, Horner DA, Bonella S, Coker DF
9564 - 9564 Classical approximation to nonradiative electronic relaxation in condensed phase systems (vol 103, pg 9539, 1999)
Rabani E, Egorov SA, Berne BJ