PARITY-VIOLATING ENERGY SHIFT OF GLYCINE, ALANINE, AND SERINE IN THE ZWITTERIONIC FORMS - CALCULATION USING HFO-NG BASIS-SETS

被引:23
作者
KIKUCHI, O
WANG, H
机构
关键词
D O I
10.1246/bcsj.63.2751
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
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页码:2751 / 2754
页数:4
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共 28 条
[1]   SYMMETRY AND MOLECULAR CHIRALITY [J].
BARRON, LD .
CHEMICAL SOCIETY REVIEWS, 1986, 15 (02) :189-223
[2]   CONFORMATIONAL ENERGY OF GLYCINE IN AQUEOUS-SOLUTIONS AND RELATIVE STABILITY OF THE ZWITTERIONIC AND NEUTRAL FORMS - AN ABINITIO STUDY [J].
BONACCORSI, R ;
PALLA, P ;
TOMASI, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (07) :1945-1950
[3]   ACCURAT ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR ATOMS .2. LOWEST CONFIGURATIONS OF NEUTRAL FIRST ROW ATOMS [J].
CLEMENTI, E ;
YOSHIMINE, M ;
ROOTHAAN, CC .
PHYSICAL REVIEW, 1962, 127 (05) :1618-&
[4]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[5]   CALCULATION OF THE PARITY NON-CONSERVING ENERGY DIFFERENCE BETWEEN MIRROR-IMAGE MOLECULES [J].
HEGSTROM, RA ;
REIN, DW ;
SANDARS, PGH .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (05) :2329-2341
[6]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES [J].
HEHRE, WJ ;
DITCHFIELD, R ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2257-+
[8]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[9]  
HUZINAGA S, 1988, J MOL STRUC-THEOCHEM, V167, P1
[10]  
KIKUCHI O, 1988, REPORT SPECIAL PROJE, V2, P215