STRUCTURE AND PROPERTIES OF TRANSITION-METAL COMPOUNDS - A SYSTEMATIC STUDY OF BASIS SET EFFECTS IN ABINITIO SCF CALCULATIONS

被引：25

作者：

BARANDIARAN, Z

SEIJO, L

HUZINAGA, S

KLOBUKOWSKI, M

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1986年 / 29卷 / 05期

关键词：

D O I：

10.1002/qua.560290504

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：1047 / 1058

页数：12

共 13 条

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[10] ABINITIO CALCULATIONS ON TRANSITION-METAL COMPOUNDS USING SMALL MINIMAL GTO BASIS-SETS [J].

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HUZINAGA, S .

CHEMICAL PHYSICS LETTERS, 1985, 117 (02) :151-153

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