THE PERMANENT ELECTRIC-DIPOLE MOMENT OF CHROMIUM MONOXIDE

被引：34

作者：

STEIMLE, TC ^{[1
]}

NACHMAN, DF ^{[1
]}

SHIRLEY, JE ^{[1
]}

BAUSCHLICHER, CW ^{[1
]}

LANGHOFF, SR ^{[1
]}

机构：

[1] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 91卷 / 04期

关键词：

D O I：

10.1063/1.457065

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：2049 / 2053

页数：5

共 22 条

[1] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL [J].

AHLRICHS, R ;

SCHARF, P ;

EHRHARDT, C .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) :890-898

[2] GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS [J].

ALMLOF, J ;

TAYLOR, PR .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) :4070-4077

[3] TRANSITION-METAL OXIDES - CRO, MOO, NIO, PDO, AGO [J].

BAUSCHLICHER, CW ;

NELIN, CJ ;

BAGUS, PS .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (07) :3265-3276

[4] FULL CONFIGURATION-INTERACTION BENCHMARK CALCULATIONS FOR TIH [J].

BAUSCHLICHER, CW .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (11) :3020-3023

[5] ELECTRIC DIPOLE MOMENTS OF OPEN-SHELL DIATOMIC MOLECULES [J].

BYFLEET, CR ;

CARRINGTON, A ;

RUSSELL, DK .

MOLECULAR PHYSICS, 1971, 20 (02) :271-+

[6] FOURIER-TRANSFORM SPECTROSCOPY OF CRO - ROTATIONAL ANALYSIS OF THE A5-SIGMA-X5-PI (0,0) BAND NEAR 8000 CM-1 [J].

CHEUNG, ASC ;

ZYRNICKI, W ;

MERER, AJ .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1984, 104 (02) :315-336

[7] THEORETICAL DIPOLE-MOMENTS FOR THE 1ST-ROW TRANSITION-METAL HYDRIDES [J].

CHONG, DP ;

LANGHOFF, SR ;

BAUSCHLICHER, CW ;

WALCH, SP .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) :2850-2860

[8] A MODIFIED COUPLED PAIR FUNCTIONAL-APPROACH [J].

CHONG, DP ;

LANGHOFF, SR .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) :5606-5610

[9] A STUDY OF THE 1ST IONIZATION-POTENTIAL OF THE CRO(X-5-PI) MOLECULE WITH HIGH-TEMPERATURE PHOTOELECTRON-SPECTROSCOPY [J].

DYKE, JM ;

GRAVENOR, BWJ ;

LEWIS, RA ;

MORRIS, A .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1983, 79 :1083-1088

[10] THE ELECTRIC-DIPOLE MOMENT OF NIH X2-DELTA-5/2 AND B2-DELTA-5/2 [J].

GRAY, JA ;

RICE, SF ;

FIELD, RW .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (10) :4717-4718

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