Ab initio photoisomerization dynamics of a simple retinal chromophore model

被引:171
作者
Vreven, T
Bernardi, F
Garavelli, M
Olivucci, M
Robb, MA
Schlegel, HB
机构
[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
[2] Univ London Kings Coll, Dept Chem, London WC2R 2LS, England
[3] Wayne State Univ, Dept Chem, Detroit, MI 48202 USA
关键词
D O I
10.1021/ja9725763
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:12687 / 12688
页数:2
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共 23 条
[1]   TRAJECTORY-SURFACE-HOPPING STUDY OF NA(3P2P) +H2-]NA(3S2S)+H2(V',J',THETA) [J].
BLAIS, NC ;
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) :1334-1342
[2]   AB-INITIO CLASSICAL TRAJECTORY STUDY OF H2CO-]H-2+CO DISSOCIATION [J].
CHEN, W ;
HASE, WL ;
SCHLEGEL, HB .
CHEMICAL PHYSICS LETTERS, 1994, 228 (4-5) :436-442
[3]   PRIMARY PICOSECOND MOLECULAR EVENTS IN THE PHOTOREACTION OF THE BR5.12 ARTIFICIAL BACTERIORHODOPSIN PIGMENT [J].
DELANEY, JK ;
BRACK, TL ;
ATKINSON, GH ;
OTTOLENGHI, M ;
STEINBERG, G ;
SHEVES, M .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1995, 92 (06) :2101-2105
[4]  
FRISCH MJ, 1996, GAUSSIAN 95 DEV VERS
[5]   The C5H6NH2+ protonated Shiff base: An ab initio minimal model for retinal photoisomerization [J].
Garavelli, M ;
Celani, P ;
Bernardi, F ;
Robb, MA ;
Olivucci, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (29) :6891-6901
[6]   Femtosecond spectroscopy of the photoisomerisation of the protonated Schiff base of all-trans retinal [J].
Hamm, P ;
Zurek, M ;
Roschinger, T ;
Patzelt, H ;
Oesterhelt, D ;
Zinth, W .
CHEMICAL PHYSICS LETTERS, 1996, 263 (05) :613-621
[7]   Excited state dynamics of bacteriorhodopsin revealed by transient stimulated emission spectra [J].
Haran, G ;
Wynne, K ;
Xie, AH ;
He, Q ;
Chance, M ;
Hochstrasser, RM .
CHEMICAL PHYSICS LETTERS, 1996, 261 (4-5) :389-395
[8]   INTEGRATION OF THE CLASSICAL EQUATIONS OF MOTION ON ABINITIO MOLECULAR-POTENTIAL ENERGY SURFACES USING GRADIENTS AND HESSIANS - APPLICATION TO TRANSLATIONAL ENERGY-RELEASE UPON FRAGMENTATION [J].
HELGAKER, T ;
UGGERUD, E ;
JENSEN, HJA .
CHEMICAL PHYSICS LETTERS, 1990, 173 (2-3) :145-150
[9]   FEMTOSECOND FLUORESCENCE STUDY OF THE RHODOPSIN CHROMOPHORE IN SOLUTION [J].
KANDORI, H ;
KATSUTA, Y ;
ITO, M ;
SASABE, H .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (09) :2669-2670
[10]   Real-time detection of 60-fs isomerization in a rhodopsin analog containing eight-membered-ring retinal [J].
Kandori, H ;
Sasabe, H ;
Nakanishi, K ;
Yoshizawa, T ;
Mizukami, T ;
Shichida, Y .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (05) :1002-1005