General discussion

被引：1
作者：
Scholes
Riedle
Buma
Orr-Ewing
Roberts
Neumark
Santoro
Bearpark
Murdock
Sension
Duxbury
Amirjalayer
Picconi
Temps
Hirst
Harris
Oliver
Roethlisberger
Domcke
Worth
Blancafort
Malis
Burghardt
Troisi
Meier
Brumer
Perveaux
Malhado
Worth, Graham
Whitaker
Nix
机构：
来源：
FARADAY DISCUSSIONS | 2013年 / 163卷
关键词：
QUANTUM DYNAMICS; PHOTOFRAGMENTATION DYNAMICS; CONFORMATIONAL RELAXATION; TIME; ABSORPTION; SPECTROSCOPY; MOLECULES; SPECTRA; STATES;
D O I：
10.1039/c3fd90018e
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：243 / 275
页数：33
相关论文
共 55 条
[1]   A Straightforward Method of Analysis for Direct Quantum Dynamics: Application to the Photochemistry of a Model Cyanine [J].
Allan, Charlotte S. M. ;
Lasorne, Benjamin ;
Worth, Graham A. ;
Robb, Michael A. .
JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (33) :8713-8729
[2]   Ultrafast polyene dynamics in solution:: The conformational relaxation and thermalization of highly excited cis-1,3,5-hexatriene as a function of initial conformation and solvent [J].
Anderson, NA ;
Pullen, SH ;
Walker, LA ;
Shiang, JJ ;
Sension, RJ .
JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (52) :10588-10598
[3]   Ultrafast ring-opening reactions: a comparison of α-terpinene, α-phellandrene, and 7-dehydrocholesterol with 1,3-cyclohexadiene [J].
Arruda, Brenden C. ;
Smith, Broc ;
Spears, Kenneth G. ;
Sension, Roseanne J. .
FARADAY DISCUSSIONS, 2013, 163 :159-171
[4]   Photochemical Ring-Opening and Ground State Relaxation in α-Terpinene with Comparison to Provitamin D3 [J].
Arruda, Brenden C. ;
Peng, Jian ;
Smith, Broc ;
Spears, Kenneth G. ;
Sension, Roseanne J. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 117 (16) :4696-4704
[5]   Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adenine [J].
Barbatti, Mario ;
Lan, Zhenggang ;
Crespo-Otero, Rachel ;
Szymczak, Jaroslaw J. ;
Lischka, Hans ;
Thiel, Walter .
JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (22)
[6]   CASSCF calculations for photoinduced processes in large molecules: Choosing when to use the RASSCF, ONIOM and MMVB approximations [J].
Bearpark, Michael J. ;
Ogliaro, Francois ;
Vreven, Thom ;
Boggio-Pasqua, Martial ;
Frisch, Michael J. ;
Larkin, Susan M. ;
Morrison, Marc ;
Robb, Michael A. .
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2007, 190 (2-3) :207-227
[7]   A valence-bond-based complete-active-space self-consistent-field method for the evaluation of bonding in organic molecules [J].
Blancafort, L ;
Celani, P ;
Bearpark, MJ ;
Robb, MA .
THEORETICAL CHEMISTRY ACCOUNTS, 2003, 110 (02) :92-99
[8]   Equivalence of quantum and classical coherence in electronic energy transfer [J].
Briggs, John S. ;
Eisfeld, Alexander .
PHYSICAL REVIEW E, 2011, 83 (05)
[9]   Multimode quantum dynamics using Gaussian wavepackets: The Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH) method applied to the absorption spectrum of pyrazine [J].
Burghardt, I. ;
Giri, K. ;
Worth, G. A. .
JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (17)
[10]   Short-time dynamics through conical intersections in macrosystems [J].
Cederbaum, LS ;
Gindensperger, E ;
Burghardt, I .
PHYSICAL REVIEW LETTERS, 2005, 94 (11)
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