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：

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

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[14]

WARSHEL A, 1970, J CHEM PHYS, V53, P583

[15]

WARSHEL A, TO BE PUBLISHED

[16] MOLECULAR PACKING ANALYSIS [J].

WILLIAMS, DE .

ACTA CRYSTALLOGRAPHICA SECTION A, 1972, A 28 (NOV1) :629-635

YOKOZEKI, A ;

KUCHITSU, K ;

MORINO, Y .