SINGLE-CENTER CALCULATION OF NH3

被引：15

作者：

BISHOP, DM

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1966年 / 45卷 / 05期

关键词：

D O I：

10.1063/1.1727830

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：1787 / &

共 13 条

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[3]

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JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (02) :423-429

[5]

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[7] SELF-CONSISTENT-FIELD WAVEFUNCTIONS AND COMPUTED POTENTIAL-ENERGY CURVES FOR NH3 AND NH MOLECULES IN 1-CENTER APPROXIMATION [J].

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JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S040-+

[8] STUDY OF THE ELECTRONIC GROUND STATE OF THE AMMONIA MOLECULE [J].

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JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (06) :1704-1713

[9] 1-CENTER BASIS SET SCF MOS .2. NH3, NH4PLUS, PH3, PH4PLUS [J].

MOCCIA, R .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (08) :2176-&

[10] GAUSSIAN WAVEFUNCTIONS FOR 10-ELECTRON SYSTEMS .3. OH-,H2O,H3O+ [J].

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