화학공학소재연구정보센터
검색결과 : 9건
No. Article
1 Continuous surface switching: An improved time-dependent self-consistent-field method for nonadiabatic dynamics
Volobuev YL, Hack MD, Topaler MS, Truhlar DG
Journal of Chemical Physics, 112(22), 9716, 2000
2 What is the best semiclassical method for photochemical dynamics of systems with conical intersections? (vol 109, pg 3321, 1998)
Topaler MS, Allison TC, Schwenke DW, Truhlar DG
Journal of Chemical Physics, 113(9), 3928, 2000
3 What is the best semiclassical method for photochemical dynamics of systems with conical intersections? (vol 109, pg 3321, 1998)
Topaler MS, Allison TC, Schwenke DW, Truhlar DG
Journal of Chemical Physics, 110(1), 687, 1999
4 Potential energy surfaces of NaFH
Topaler MS, Truhlar DG, Chang XY, Piecuch P, Polanyi JC
Journal of Chemical Physics, 108(13), 5349, 1998
5 The photoabsorption spectrum of Na center dot center dot center dot FH van der Waals molecule : Comparison of theory and experiment for a harpooning reaction studied by transition state spectroscopy
Topaler MS, Truhlar DG, Chang XY, Piecuch P, Polanyi JC
Journal of Chemical Physics, 108(13), 5378, 1998
6 What is the best semiclassical method for photochemical dynamics of systems with conical intersections?
Topaler MS, Allison TC, Schwenke DW, Truhlar DG
Journal of Chemical Physics, 109(9), 3321, 1998
7 Test of trajectory surface hopping against accurate quantum dynamics for an electronically nonadiabatic chemical reaction
Topaler MS, Allison TC, Schwenke DW, Truhlar DG
Journal of Physical Chemistry A, 102(10), 1666, 1998
8 Validation of Trajectory Surface Hopping Methods Against Accurate Quantum-Mechanical Dynamics and Semiclassical Analysis of Electronic-to-Vibrational Energy-Transfer
Topaler MS, Hack MD, Allison TC, Liu YP, Mielke SL, Schwenke DW, Truhlar DG
Journal of Chemical Physics, 106(21), 8699, 1997
9 Statistical-Model for Nonadiabatic Decay of an Exciplex Strongly Coupled to a Dissociative Continuum
Topaler MS, Truhlar DG
Journal of Chemical Physics, 107(2), 392, 1997