CALCULATION OF FERMI CONTACT TERM IN SOME TRANSITION-METAL COMPLEXES FROM UNRESTRICTED HARTREE-FOCK MOLECULAR-ORBITALS

被引：0

作者：

BROUCKERE, GD ^{[1
]}

TRAPPENI.NJ ^{[1
]}

TENSELDA.CA ^{[1
]}

机构：

[1] UNIV AMSTERDAM, VAN DER WAALS LAB, AMSTERDAM, NETHERLANDS

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 21卷 / 02期

关键词：

D O I：

暂无

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：230 / 232

页数：3

共 14 条

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AMOS AT, 1964, J CHEM PHYS, V41, P1973

[4] STUDY OF CONTACT-TERM CONTRIBUTION TO HYPERFINE STRUCTURE OBTAINED FROM SPIN-UNRESTRICTED HARTREE-FOCK WAVE FUNCTIONS [J].

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LIU, B ;

SCHAEFER, HF .

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[5]

BROUCKERE GD, 1970, THEOR CHIM ACTA, V19, P310

[6]

BROUCKERE GD, TO BE PUBLISHED

[7]

Demuynck J, 1970, CHEM PHYS LETT, V6, P204, DOI 10.1016/0009-2614(70)80219-6

[8] ELECTRON PARAMAGNETIC RESONANCE OF DIVALENT MANGANESE IN AMMONIUM CHLORIDE [J].

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[9]

HAGEN SH, 1966, THESIS U AMSTERDAM

[10] UNRESTRICTED HARTREE-FOCK METHOD [J].

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