CNDO CALCULATION OF PI-ELECTRONIC STRUCTURE AND BARRIER TO INTERNAL-ROTATION IN BENZENESULFONIC ACID

被引:4
作者
GHIRVU, CI [1 ]
机构
[1] AL I CUZA UNIV,FAC CHEM,JASSY,ROMANIA
来源
THEORETICA CHIMICA ACTA | 1973年 / 30卷 / 01期
关键词
D O I
10.1007/BF00527638
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:115 / 117
页数:3
相关论文
共 11 条
[1]   THE CRYSTAL STRUCTURES OF ZINC AND MAGNESIUM BENZENE SULPHONATES [J].
BROOMHEAD, JM ;
NICOL, ADI .
ACTA CRYSTALLOGRAPHICA, 1948, 1 (1-6) :88-92
[2]   HYPERCONJUGATION [J].
CRAWFORD, VA .
QUARTERLY REVIEWS, 1949, 3 (03) :226-244
[3]  
Lowe J. P., 1968, PROGR PHYS ORG CHEM, V6, P1
[4]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].
POPLE, JA ;
SANTRY, DP ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S129-+
[5]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP [J].
POPLE, JA ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S136-+
[6]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS [J].
POPLE, JA ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) :3289-&
[7]  
SAHINI VE, 1971, REV ROUM CHIM, V16, P149
[8]  
SAHINI VE, 1970, REV ROUM CHIM, V15, P11
[9]  
SAHINI VE, 1969, REV ROUM CHIM, V14, P275
[10]  
SAHINI VE, 1967, REV ROUM CHIM, V12, P237