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Results: 1-13 |
Results: 13
Photochemistry from first principles - advances and future prospects
Authors: Quenneville, J Ben-Nun, M Martinez, TJ
Citation: J. Quenneville et al., Photochemistry from first principles - advances and future prospects, J PHOTOCH A, 144(2-3), 2001, pp. 229-235
Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics
Authors: Hack, MD Wensmann, AM Truhlar, DG Ben-Nun, M Martinez, TJ
Citation: Md. Hack et al., Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics, J CHEM PHYS, 115(3), 2001, pp. 1172-1186
Ab initio multiple spawning: Photochemistry from first principles quantum molecular dynamics
Authors: Ben-Nun, M Quenneville, J Martinez, TJ
Citation: M. Ben-nun et al., Ab initio multiple spawning: Photochemistry from first principles quantum molecular dynamics, J PHYS CH A, 104(22), 2000, pp. 5161-5175
Photodynamics of ethylene: ab initio studies of conical intersections
Authors: Ben-Nun, M Martinez, TJ
Citation: M. Ben-nun et Tj. Martinez, Photodynamics of ethylene: ab initio studies of conical intersections, CHEM PHYS, 259(2-3), 2000, pp. 237-248
Characterization of a conical intersection between the ground and first excited state for a retinal analog
Authors: Molnar, F Ben-Nun, M Martinez, TJ Schulten, K
Citation: F. Molnar et al., Characterization of a conical intersection between the ground and first excited state for a retinal analog, J MOL ST-TH, 506, 2000, pp. 169-178
A multiple spawning approach to tunneling dynamics
Authors: Ben-Nun, M Martinez, TJ
Citation: M. Ben-nun et Tj. Martinez, A multiple spawning approach to tunneling dynamics, J CHEM PHYS, 112(14), 2000, pp. 6113-6121
Direct observation of disrotatory ring-opening in photoexcited cyclobuteneusing ab initio molecular dynamics
Authors: Ben-Nun, M Martinez, TJ
Citation: M. Ben-nun et Tj. Martinez, Direct observation of disrotatory ring-opening in photoexcited cyclobuteneusing ab initio molecular dynamics, J AM CHEM S, 122(26), 2000, pp. 6299-6300
Electronic absorption and resonance Raman spectroscopy from ab initio quantum molecular dynamics
Authors: Ben-Nun, M Martinez, TJ
Citation: M. Ben-nun et Tj. Martinez, Electronic absorption and resonance Raman spectroscopy from ab initio quantum molecular dynamics, J PHYS CH A, 103(49), 1999, pp. 10517-10527
Semiclassical tunneling rates from ab initio molecular dynamics
Authors: Ben-Nun, M Martinez, TJ
Citation: M. Ben-nun et Tj. Martinez, Semiclassical tunneling rates from ab initio molecular dynamics, J PHYS CH A, 103(31), 1999, pp. 6055-6059
Electronic energy funnels in cis-trans photoisomerization of retinal protonated Schiff base
Authors: Ben-Nun, M Martinez, TJ
Citation: M. Ben-nun et Tj. Martinez, Electronic energy funnels in cis-trans photoisomerization of retinal protonated Schiff base, J PHYS CH A, 102(47), 1999, pp. 9607-9617
Exploiting temporal nonlocality to remove scaling bottlenecks in nonadiabatic quantum dynamics
Authors: Ben-Nun, M Martinez, TJ
Citation: M. Ben-nun et Tj. Martinez, Exploiting temporal nonlocality to remove scaling bottlenecks in nonadiabatic quantum dynamics, J CHEM PHYS, 110(9), 1999, pp. 4134-4140
Quantum dynamics of the femtosecond photoisomerization of retinal in bacteriorhodopsin
Authors: Ben-Nun, M Molnar, F Lu, H Phillips, JC Martinez, TJ Schulten, K
Citation: M. Ben-nun et al., Quantum dynamics of the femtosecond photoisomerization of retinal in bacteriorhodopsin, FARADAY DIS, (110), 1998, pp. 447-462
Ab initio molecular dynamics study of cis-trans photoisomerization in ethylene
Authors: Ben-Nun, M Martinez, TJ
Citation: M. Ben-nun et Tj. Martinez, Ab initio molecular dynamics study of cis-trans photoisomerization in ethylene, CHEM P LETT, 298(1-3), 1998, pp. 57-65
Risultati: 1-13 |