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Results: 1-8 |
Results: 8
TEST OF TRAJECTORY SURFACE HOPPING AGAINST ACCURATE QUANTUM DYNAMICS FOR AN ELECTRONICALLY NONADIABATIC CHEMICAL-REACTION
Authors: TOPALER MS ALLISON TC SCHWENKE DW TRUHLAR DG
Citation: Ms. Topaler et al., TEST OF TRAJECTORY SURFACE HOPPING AGAINST ACCURATE QUANTUM DYNAMICS FOR AN ELECTRONICALLY NONADIABATIC CHEMICAL-REACTION, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(10), 1998, pp. 1666-1673
WHAT IS THE BEST SEMICLASSICAL METHOD FOR PHOTOCHEMICAL DYNAMICS OF SYSTEMS WITH CONICAL INTERSECTIONS
Authors: TOPALER MS ALLISON TC SCHWENKE DW TRUHLAR DG
Citation: Ms. Topaler et al., WHAT IS THE BEST SEMICLASSICAL METHOD FOR PHOTOCHEMICAL DYNAMICS OF SYSTEMS WITH CONICAL INTERSECTIONS, The Journal of chemical physics, 109(9), 1998, pp. 3321-3345
ABCRATE - A PROGRAM FOR THE CALCULATION OF ATOM-DIATOM REACTION-RATES
Authors: GARRETT BC LYNCH GC ALLISON TC TRUHLAR DG
Citation: Bc. Garrett et al., ABCRATE - A PROGRAM FOR THE CALCULATION OF ATOM-DIATOM REACTION-RATES, Computer physics communications, 109(1), 1998, pp. 47-54
FUNNEL STATES AS MEDIATORS OF BORN-OPPENHEIMER BREAKDOWN IN REACTIONSAT AN AVOIDED CROSSING
Authors: ALLISON TC MIELKE SL SCHWENKE DW TRUHLAR DG
Citation: Tc. Allison et al., FUNNEL STATES AS MEDIATORS OF BORN-OPPENHEIMER BREAKDOWN IN REACTIONSAT AN AVOIDED CROSSING, Journal of the Chemical Society. Faraday transactions, 93(5), 1997, pp. 825-832
VALIDATION OF TRAJECTORY SURFACE HOPPING METHODS AGAINST ACCURATE QUANTUM-MECHANICAL DYNAMICS AND SEMICLASSICAL ANALYSIS OF ELECTRONIC-TO-VIBRATIONAL ENERGY-TRANSFER
Authors: TOPALER MS HACK MD ALLISON TC LIU YP MIELKE SL SCHWENKE DW TRUHLAR DG
Citation: Ms. Topaler et al., VALIDATION OF TRAJECTORY SURFACE HOPPING METHODS AGAINST ACCURATE QUANTUM-MECHANICAL DYNAMICS AND SEMICLASSICAL ANALYSIS OF ELECTRONIC-TO-VIBRATIONAL ENERGY-TRANSFER, The Journal of chemical physics, 106(21), 1997, pp. 8699-8709
DYNAMICS OF THE SIMPLEST CHLORINE ATOM REACTION - AN EXPERIMENTAL ANDTHEORETICAL-STUDY
Authors: ALAGIA M BALUCANI N CARTECHINI L CASAVECCHIA P VANKLEEF EH VOLPI GG AOIZ FJ BANARES L SCHWENKE DW ALLISON TC MIELKE SL TRUHLAR DG
Citation: M. Alagia et al., DYNAMICS OF THE SIMPLEST CHLORINE ATOM REACTION - AN EXPERIMENTAL ANDTHEORETICAL-STUDY, Science, 273(5281), 1996, pp. 1519-1522
AN IMPROVED POTENTIAL-ENERGY SURFACE FOR THE H2CL SYSTEM AND ITS USE FOR CALCULATIONS OF RATE COEFFICIENTS AND KINETIC ISOTOPE EFFECTS
Authors: ALLISON TC LYNCH GC TRUHLAR DG GORDON MS
Citation: Tc. Allison et al., AN IMPROVED POTENTIAL-ENERGY SURFACE FOR THE H2CL SYSTEM AND ITS USE FOR CALCULATIONS OF RATE COEFFICIENTS AND KINETIC ISOTOPE EFFECTS, Journal of physical chemistry, 100(32), 1996, pp. 13575-13587
QUANTUM-MECHANICAL RATE COEFFICIENTS FOR THE CL-2 REACTION(H)
Authors: MIELKE SL ALLISON TC TRUHLAR DG SCHWENKE DW
Citation: Sl. Mielke et al., QUANTUM-MECHANICAL RATE COEFFICIENTS FOR THE CL-2 REACTION(H), Journal of physical chemistry, 100(32), 1996, pp. 13588-13593
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