EXAMINATION OF INTRAMOLECULAR POTENTIAL SURFACES OF FLEXIBLE CONJUGATED MOLECULES BY CALCULATION OF CRYSTAL-STRUCTURES - EQUILIBRIUM GEOMETRIES OF CHALCONES AND DIPHENYLOCTATETRAENE IN CRYSTAL AND GASEOUS STATE

被引：24

作者：

WARSHEL, A

HULER, E

RABINOVICH, D

SHAKKED, Z

机构：

[1] WEIZMANN INST SCI, DEPT CHEM PHYS, REHOVOTH, ISRAEL

[2] SOREQ NUCL RES CTR, YAVNE, ISRAEL

[3] WEIZMANN INST SCI, DEPT STRUCT CHEM, REHOVOTH, ISRAEL

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1974年 / 23卷 / 02期

关键词：

D O I：

10.1016/0022-2860(74)85032-5

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

页码：175 / 191

页数：17

共 17 条

[1] GEOMETRY OF HINDERED STILBENES IN THEIR GROUND AND EXCITED-STATES [J].

BROMBERG, A ;

MUSZKAT, KA .

TETRAHEDRON, 1972, 28 (05) :1265-&

[2] MOLECULAR STRUCTURE OF BIPHENYL IN GAS AND SOLID PHASES [J].

CASALONE, G ;

MARIANI, C ;

MUGNOLI, A ;

SIMONETTA, M .

MOLECULAR PHYSICS, 1968, 15 (04) :339-+

[3] STRUCTURE OF ALPHA,OMEGA-DIPHENYL-POLYENES .4. CRYSTAL AND MOLECULAR STRUCTURE OF 1,8-DIPHENYL-1,3,5,7-OCTATETRAENE [J].

DRENTH, W ;

WIEBENGA, EH .

ACTA CRYSTALLOGRAPHICA, 1955, 8 (12) :755-760

[4] RING ORIENTATION IN BETA-IONONE AND RETINALS (THEORETICAL/NMR/SEMI-EMPIRICAL APPROACH/OVERHAUSER EFFECT/S-CIS CONFORMATION) [J].

HONIG, B ;

HUDSON, B ;

SYKES, BD ;

KARPLUS, M .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1971, 68 (06) :1289-+

[5]

HULER E, IN PRESS

[6] STEREOISOMERS OF RETINAL - A THEORETICAL STUDY OF ENERGY DIFFERENCES [J].

NASH, HA .

JOURNAL OF THEORETICAL BIOLOGY, 1969, 22 (02) :314-&

[7]

RABINOVICH D, TO BE PUBLISHED

[8]

RABINOVICH D, 1970, J CHEM SOC B, P10

[9]

SUSUKI H, 1967, ELECTRONIC ABSORPTIO

[10]

TRAETTEB.M, 1968, ACTA CHEM SCAND, V22, P2305

← 1 2 →