CALCULATIONS OF DEUTERIUM QUADRUPOLE COUPLING-CONSTANTS EMPLOYING SEMI-EMPIRICAL MOLECULAR-ORBITAL THEORY

被引：35

作者：

BARFIELD, M ^{[1
]}

GOTTLIEB, HPW ^{[1
]}

DODDRELL, DM ^{[1
]}

机构：

[1] GRIFFITH UNIV, SCH SCI, BRISBANE 4111, Qld, AUSTRALIA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 69卷 / 10期

关键词：

D O I：

10.1063/1.436440

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

页码：4504 / 4515

页数：12

共 57 条

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[8] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
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[9] ELECTRIC-FIELD GRADIENTS IN LIQUIDS BY DEUTERON QUADRUPOLE RELAXATION
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[10] BUCKINGHAM AD, 1974, CRITICAL EVALUATION, P506

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