ANALYSIS OF CRITICAL-POINTS ON THE POTENTIAL-ENERGY SURFACE

被引:8
作者
SCHARFENBERG, P
机构
来源
THEORETICA CHIMICA ACTA | 1980年 / 58卷 / 01期
关键词
D O I
10.1007/BF00635725
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
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页码:73 / 79
页数:7
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共 22 条
[1]  
COURANT R, 1978, METHODEN MATH PHYSIK, V1, P24
[2]   GROUND-STATES OF MOLECULES .37. MINDO-3 CALCULATIONS OF MOLECULAR VIBRATION FREQUENCIES [J].
DEWAR, MJS ;
FORD, GP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (06) :1685-1691
[3]  
FARAG MS, 1974, THESIS CONNECTICUT
[4]  
Fletcher R, 1972, FORTRAN SUBROUTINES
[5]  
HOBZA P, TOPICS CURRENT CHEM
[6]   REACTION PATH PROPERTIES ON POTENTIAL SURFACES [J].
MATHIAS, P ;
SANDERS, WA .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (09) :3898-3899
[7]   REACTION PATH PROPERTIES AT CRITICAL-POINTS ON POTENTIAL SURFACES [J].
MCCULLOUGH, EA ;
SILVER, DM .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (10) :4050-4052
[8]   RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR ORBITAL METHODS [J].
MCIVER, JW ;
KOMORNICKI, A .
CHEMICAL PHYSICS LETTERS, 1971, 10 (03) :303-+
[10]   CHEMICAL THERMODYNAMIC PROPERTIES OF ETHYLBENZENE [J].
MILLER, A ;
SCOTT, DW .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (03) :1317-1319