A computational strategy for organic photochemistry

被引:165
作者
Robb, MA [1 ]
Garavelli, M
Olivucci, M
Bernardi, F
机构
[1] Kings Coll London, Dept Chem, London WC2R 2LS, England
[2] Univ Siena, Ist Chim Organ, I-53100 Siena, Italy
[3] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
来源
REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 15 | 2000年 / 15卷
关键词
D O I
10.1002/9780470125922.ch2
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:87 / 146
页数:60
相关论文
共 115 条
[81]   THE 2 (1)A(G) STATE OF TRANS,TRANS-1,3,5,7-OCTATETRAENE IN FREE JET EXPANSIONS [J].
PETEK, H ;
BELL, AJ ;
CHOI, YS ;
YOSHIHARA, K ;
TOUNGE, BA ;
CHRISTENSEN, RL .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (05) :3777-3794
[82]  
PETEK H, 1992, SPIE P, V1638, P345
[83]   EFFECTS OF SURFACE CROSSING IN CHEMICAL REACTIONS - H3+ SYSTEM [J].
PRESTON, RK ;
TULLY, JC .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (10) :4297-&
[84]   FEMTOSECOND TRANSIENT ABSORPTION STUDY OF THE RING-OPENING REACTION OF 1,3-CYCLOHEXADIENE [J].
PULLEN, S ;
WALKER, LA ;
DONOVAN, B ;
SENSION, RJ .
CHEMICAL PHYSICS LETTERS, 1995, 242 (4-5) :415-420
[85]   OPTIMIZATION AND CHARACTERIZATION OF THE LOWEST ENERGY POINT ON A CONICAL INTERSECTION USING AN MC-SCF LAGRANGIAN [J].
RAGAZOS, IN ;
ROBB, MA ;
BERNARDI, F ;
OLIVUCCI, M .
CHEMICAL PHYSICS LETTERS, 1992, 197 (03) :217-223
[86]   EXCITED-STATE POTENTIAL SURFACE CROSSINGS IN ACROLEIN - A MODEL FOR UNDERSTANDING THE PHOTOCHEMISTRY AND PHOTOPHYSICS OF ALPHA,BETA-ENONES [J].
REGUERO, M ;
OLIVUCCI, M ;
BERNARDI, F ;
ROBB, MA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (05) :2103-2114
[87]   PHOTOCHEMICAL RING-OPENING REACTIONS ARE COMPLETE IN PICOSECONDS - A TIME-RESOLVED UV RESONANCE RAMAN-STUDY OF 1,3-CYCLOHEXADIENE [J].
REID, PJ ;
DOIG, SJ ;
WICKHAM, SD ;
MATHIES, RA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (11) :4754-4763
[88]   INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP TECHNIQUE FOR SPECTROSCOPY - PYRROLE AND AZINES [J].
RIDLEY, J ;
ZERNER, M .
THEORETICA CHIMICA ACTA, 1973, 32 (02) :111-134
[89]  
ROBB MA, 1997, UNPUB
[90]  
Roos B. O., 1987, ADV CHEM PHYS, P399, DOI DOI 10.1002/9780470142943.CH7