USE OF CONSTRAINTS IN EVALUATION OF MOLECULAR STRAIN ENERGIES SPECIFIED BY EMPIRICAL VALENCE-FORCE POTENTIALS

被引：29

作者：

THOMAS, MW

EMERSON, D

机构：

[1] UNIV COLL CARDIFF,PHYS DEPT,CARDIFF CF1 1XL,GLAMORGANSHIRE,WALES

[2] MATH INST,OXFORD OX1 3LB,ENGLAND

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1973年 / 16卷 / 03期

关键词：

D O I：

10.1016/0022-2860(73)80114-0

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：473 / 482

页数：10

共 14 条

[1] CONFORMATIONAL ANALYSIS .69. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF HYDROCARBONS
ALLINGER, NL
TRIBBLE, MT
MILLER, MA
WERTZ, DH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (07) : 1637 - &
[2] REFINED PROCEDURE FOR ANALYSIS OF ELECTRON DIFFRACTION DATA AND ITS APPLICATION TO CCL4
BARTELL, LS
BROCKWAY, LO
SCHWENDEMAN, RH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1854 - 1859
[3] THERMOCHEMISTRY, THERMODYNAMIC FUNCTIONS, AND MOLECULAR STRUCTURES OF SOME CYCLIC HYDROCARBONS
BOYD, RH
SANWAL, SN
SHARYTEH.S
MCNALLY, D
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1971, 75 (09) : 1264 - &
[4] METHOD FOR CALCULATION OF CONFORMATION OF MINIMUM POTENTIAL-ENERGY AND THERMODYNAMIC FUNCTIONS OF MOLECULES FROM EMPIRICAL VALENCE-FORCE POTENTIALS - APPLICATION TO CYCLOPHANES
BOYD, RH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (06) : 2574 - &
[5] ANHARMONIC POTENTIAL FUNCTIONS OF POLYATOMIC MOLECULES .5. TRANSFORMATIONS OF GENERAL VALENCE-FORCE COORDINATES
CIHLA, Z
PLIVA, J
[J]. COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1963, 28 (05) : 1232 - &
[6] Some studies concerning rotating axes and polyatomic molecules
Eckart, C
[J]. PHYSICAL REVIEW, 1935, 47 (07): : 552 - 558
[7] THE NU-2 RAMAN BAND OF METHANE
FELDMAN, T
ROMANKO, J
WELSH, HL
[J]. CANADIAN JOURNAL OF PHYSICS, 1955, 33 (3-4) : 138 - 145
[8] Herzberg G., 1945, INFRARED RAMAN SPECT
[9] INFLUENCE OF NONBONDED INTERACTIONS ON MOLECULAR GEOMETRY AND ENERGY - CALCULATION FOR HYDROCARBONS BASED ON UREY-BRADLEY FIELD
JACOB, EJ
THOMPSON, HB
BARTELL, LS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) : 3736 - &
[10] KITAIGORODSKY AI, 1967, TETRAHEDRON, V24, P5917

← 1 2 →