THE EFFECT OF INNER-SHELL POLARIZATION ON DIAGONAL STRETCHING FORCE-CONSTANTS - SOME LARGE-BASIS SCF AND CI RESULTS

被引：4

作者：

SELLERS, H

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1985年 / 119卷 / 04期

关键词：

D O I：

10.1016/0009-2614(85)80417-6

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：281 / 284

页数：4

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[1] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS
KRISHNAN, R
BINKLEY, JS
SEEGER, R
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) : 650 - 654
[2] A SYSTEMATIC STUDY OF THE CONVERGENCE AND ADDITIVITY OF CORRELATION AND BASIS SET EFFECTS ON THE FORCE-CONSTANTS OF SMALL MOLECULES - HF, HCN, AND NH3
PULAY, P
LEE, JG
BOGGS, JE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (07) : 3382 - 3391
[3] THE EFFECT OF INNER-SHELL POLARIZATION ON DIAGONAL STRETCHING FORCE-CONSTANTS
SELLERS, H
[J]. CHEMICAL PHYSICS LETTERS, 1985, 115 (4-5) : 401 - 404
[4] A SYSTEMATIC THEORETICAL-STUDY OF HARMONIC VIBRATIONAL FREQUENCIES - THE AMMONIUM ION NH-4(+) AND OTHER SIMPLE MOLECULES
YAMAGUCHI, Y
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (05) : 2310 - 2318