SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .24. SUPPLEMENTED SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS

被引：1434

作者：

PIETRO, WJ

FRANCL, MM

HEHRE, WJ

DEFREES, DJ

POPLE, JA

BINKLEY, JS

机构：

[1] UNIV CALIF IRVINE, DEPT CHEM, IRVINE, CA 92717 USA

[2] CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA

[3] SANDIA NATL LABS, DIV THEORET, LIVERMORE, CA 94550 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1982年 / 104卷 / 19期

关键词：

D O I：

10.1021/ja00383a007

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：5039 / 5048

页数：10

共 20 条

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[2]

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[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

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BINKLEY JS, UNPUB QUANTUM CHEM P

[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS [J].

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SCHLEYER, PV ;

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[6]

DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013

[7]

DEFREES DJ, UNPUB

[8]

DYKSTRA CE, 1980, CHEM KETENES ALLENES, P1

[9]

FRANCL MM, J CHEM PHYS

[10] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .22. SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS [J].

GORDON, MS ;

BINKLEY, JS ;

POPLE, JA ;

PIETRO, WJ ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) :2797-2803

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