The structure of the nonadiabatic photochemical trans->cis isomerization channel in all-trans octatetraene

被引：47

作者：

Garavelli, M

Celani, P

Yamamoto, N

Bernardi, F

Robb, MA

Olivucci, M

机构：

[1] UNIV BOLOGNA, DIPARTIMENTO CHIM G CIAMICIAN, I-40126 BOLOGNA, ITALY

[2] UNIV LONDON KINGS COLL, LONDON WC2R 2LS, ENGLAND

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1996年 / 118卷 / 46期

关键词：

D O I：

10.1021/ja961707h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：11656 / 11657

页数：2

共 16 条

[1] 2ND-ORDER PERTURBATION-THEORY WITH A COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELD REFERENCE FUNCTION [J].

ANDERSSON, K ;

MALMQVIST, PA ;

ROOS, BO .

JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (02) :1218-1226

[2]

ANDERSSON K, 1994, MOLCAS VERSION 3

[3]

[Anonymous], CRC HDB ORGANIC PHOT

[4] Vibronic activity in trans,trans-1,3,5,7 octatetraene: The S-0->S-1, spectrum [J].

Buma, WJ ;

Zerbetto, F .

JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (24) :10492-10501

[5] MOLECULAR TRIGGER FOR RADIATIONLESS DEACTIVATION OF PHOTOEXCITED CONJUGATED HYDROCARBONS [J].

CELANI, P ;

GARAVELLI, M ;

OTTANI, S ;

BERNARDI, F ;

ROBB, MA ;

OLIVUCCI, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (46) :11584-11585

[6] GLOBAL CONTROL OF SUPRATHRESHOLD REACTIVITY BY QUANTIZED TRANSITION-STATES [J].

CHATFIELD, DC ;

FRIEDMAN, RS ;

TRUHLAR, DG ;

GARRETT, BC ;

SCHWENKE, DW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (02) :486-494

[7]

Frisch M.J., 1995, GAUSSIAN 94 REVISION

[8] OCTATETRAENE PHOTOISOMERIZATION [J].

KOHLER, BE .

CHEMICAL REVIEWS, 1993, 93 (01) :41-54

[9]

LIU RSH, 1995, CRC HDB ORGANIC PHOT, P165

[10] SKIING THE REACTION-RATE SLOPES [J].

MARCUS, RA .

SCIENCE, 1992, 256 (5063) :1523-1524

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