CALCULATION OF NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS IN PYRAZOLE AND IMIDAZOLE FROM ABINITIO WAVEFUNCTIONS

被引：17

作者：

HA, TK ^{[1
]}

机构：

[1] SWISS FED INST TECHNOL, LAB PHYS CHEM, ZURICH, SWITZERLAND

来源：

CHEMICAL PHYSICS LETTERS | 1976年 / 37卷 / 02期

关键词：

D O I：

10.1016/0009-2614(76)80223-0

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：315 / 318

页数：4

共 22 条

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[8] AB-INITIO SCF CI STUDY OF ELECTRONIC-SPECTRUM OF S-TETRAZINE [J].

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[9] AB-INITIO SCF AND CI STUDY OF ELECTRONIC-STRUCTURE AND N-] PI-STAR EXCITATION OF CH3CHO, NH2CHO,HOCHO AND FCHO [J].

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KELLER, L .

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[10] AB-INITIO SCF-CI STUDY OF ELECTRONIC-SPECTRA OF NITROETHYLENE [J].

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