ABINITIO MO CALCULATION OF NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS OF H-2, LI-7 AND CL-35 IN LICL AND HCL MOLECULES

被引：8

|

作者：

LAL, A

KESHARI, V

CHANDRA, P

机构：

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1989年 / 192卷 / 3-4期

关键词：

D O I：

10.1016/0022-2860(89)85046-X

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：263 / 270

页数：8

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[23] ENERGY DERIVATIVE METHOD IN MRD CI CALCULATION OF ROVIBRATIONAL DEPENDENCE OF NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS OF DIATOMIC-MOLECULES - APPLICATION TO (LIH)-LI-7-H-2 IN THE X1-SIGMA+ AND A1-SIGMA+ STATES
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[24] EQUILIBRIUM NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS FROM THE ROTATIONAL SPECTRUM OF BRCL - A SOURCE OF THE ELECTRIC QUADRUPOLE-MOMENT RATIOS Q(BR-79)/Q(BR-81) AND Q(CL-35)/Q(CL-37)
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[25] THE ROLE OF BOND CENTERED FUNCTION IN CALCULATION OF NUCLEAR-QUADRUPOLE COUPLING-CONSTANT OF N-14 AND H-2 NUCLEI IN HCN AND HNC MOLECULES
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[26] COMPARISON OF THE EFFECTS OF SYMMETRIC VERSUS ASYMMETRIC H BONDING ON H-2 AND O-17 NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS - APPLICATION TO FORMIC-ACID AND THE HYDROGEN DIFORMATE ANION
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[27] SEMIEMPIRICAL VS ABINITIO CALCULATIONS OF MOLECULAR-PROPERTIES .4. NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS OF N-14 IN SOME MEDIUM-SIZED HETEROCYCLIC MOLECULES
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[29] AB-INITIO CALCULATION OF THE NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS OF ROVIBRATIONAL LEVELS IN THE X(2)SIGMA(+) STATE OF ALL ISOTOPIC VARIANTS OF LIH-
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[30] THE EFFECTS OF H-BONDING, CHANGE OF STATE AND MOLECULAR DISTORTION ON H-2 AND O-17 NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS - GENERAL THEORETICAL CONSIDERATIONS AND SPECIFIC APPLICATION TO FORMIC-ACID
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