CALCULATION OF SECOND MOMENTS OF ELECTRONIC CHARGE-DISTRIBUTION AND MOLECULAR QUADRUPOLE-MOMENTS OF SOME FLUORINE FLUORINE CONTAINING COMPOUNDS BY CNDO/2D METHOD

被引：16

作者：

BLOOR, JE

MAKSIC, ZB

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1972年 / 57卷 / 08期

关键词：

D O I：

10.1063/1.1678796

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

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页码：3572 / &

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[1] MOLECULAR G VALUES, MAGNETIC SUSCEPTIBILITY ANISOTROPIES, MOLECULAR QUADRUPOLE MOMENTS, AND SECOND MOMENT OF ELECTRONIC CHARGE DISTRIBUTION IN OCF2, CH2CF2, CIS-CHFCHF, AND CH2F2 [J].

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[2] VALENCE SHELL CALCULATIONS ON POLYATOMIC MOLECULES .5. MOLECULAR QUADRUPOLE MOMENTS BY CNDO/2D AND SCC METHODS [J].

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[3] MOLECULAR ZEEMAN EFFECT IN DIAMAGNETIC MOLECULES AND DETERMINATION OF MOLECULAR MAGNETIC MOMENTS (G-VALUES), MAGNETIC SUSCEPTIBILITIES, AND MOLECULAR QUADRUPOLE MOMENTS [J].

FLYGARE, WH ;

BENSON, RC .

MOLECULAR PHYSICS, 1971, 20 (02) :225-&

[4] MOLECULAR G-VALUES MAGNETIC SUSCEPTIBILITY ANISOTROPIES SECOND MOMENT OF CHARGE DISTRIBUTION AND MOLECULAR QUADRUPOLE MOMENTS IN FORMIC ACID [J].

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FLYGARE, WH .

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[5] VALENCE SHELL CALCULATIONS ON POLYATOMIC MOLECULES .4. EFFECT OF DEORTHOGONALIZATION ON CNDO/2 DIPOLE MOMENTS AND CHARGE DISTRIBUTIONS [J].

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THEORETICA CHIMICA ACTA, 1971, 21 (01) :1-+