ONE-ELECTRON PROPERTIES OF AMMONIA COMPUTED FROM NEAR-HARTREE-FOCK WAVEFUNCTIONS

被引：26
作者：
LAWS, EA
STEVENS, RM
LIPSCOMB, WN
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1972年 / 56卷 / 05期
关键词：
D O I：
10.1063/1.1677494
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：
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页码：2029 / &
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共 19 条
[1]   CALCULATION OF MOLECULAR PROPERTIES WITH LIMITED-BASIS HARTREE-FOCK FUNCTIONS [J].
GOODISMAN, J .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (02) :304-&
[2]  
GRADSHTEYN IS, 1965, TABLE INTEGRALS SERI, P715
[3]   ANALYSIS OF CHARGE DISTRIBUTIONS - HYDROGEN FLUORIDE [J].
KERN, CW ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (05) :1374-+
[4]   GAUSSIAN-TRANSFORM METHOD FOR MOLECULAR INTEGRALS .2. EVALUATION OF MOLECULAR PROPERTIES [J].
KERN, CW ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (02) :415-&
[5]   N-14H3 HYPERFINE STRUCTURE AND QUADRUPOLE COUPLING [J].
KUKOLICH, SG ;
WOFSY, SC .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5477-&
[6]   MEASUREMENTS OF HYPERFINE STRUCTURE IN NH2D [J].
KUKOLICH, SG .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (12) :5523-&
[7]   MAGNETIC PROPERTIES OF ALH AND N2 FROM COUPLED HARTREE-FOCK THEORY [J].
LAWS, EA ;
STEVENS, RM ;
LIPSCOMB, WN .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (10) :4269-&
[8]   HYPERFINE STRUCTURE OF THE MICROWAVE SPECTRA OF THE NO MOLECULE AND THE NUCLEAR QUADRUPOLE MOMENT OF NITROGEN [J].
LIN, CC .
PHYSICAL REVIEW, 1960, 119 (03) :1027-1028
[9]  
LUCKEN EAC, 1969, NUCLEAR QUADRUPOLE C
[10]   EVALUATION OF MOLECULAR INTEGRALS BY SOLID SPHERICAL HARMONIC EXPANSIONS [J].
PITZER, RM ;
KERN, CW ;
LIPSCOMB, WN .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (02) :267-&
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