SCF WAVEFUNCTIONS FOR NH3 MOLECULE . POTENTIAL-ENERGY SURFACE AND VIBRATIONAL FORCE CONSTANTS

被引：50
作者：
BODY, RG
MCCLURE, DS
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1968年 / 49卷 / 11期
关键词：
D O I：
10.1063/1.1669979
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：
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页码：4916 / &
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共 43 条
[1]  
ALLAVENA M, 1962, J CHEM PHYS, V37, P2138
[2]   DERIVATION OF PHYSICALLY SIGNIFICANT NONBONDED INTERACTION CONSTANTS IN HYDRIDES BY A MODIFIED UREY-BRADLEY ANALYSIS [J].
BARTELL, LS ;
KUCHITSU, K .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (04) :691-+
[3]   VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA [J].
BENEDICT, WS ;
PLYLER, EK .
CANADIAN JOURNAL OF PHYSICS, 1957, 35 (10) :1235-1241
[4]   DIATOMIC FORCES AND FORCE CONSTANTS .I. ERRORS IN HELLMANN-FEYNMAN METHOD [J].
BENSTON, ML ;
KIRTMAN, B .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :119-&
[5]   DIATOMIC FORCES AND FORCE CONSTANTS .2. VARIATION-PERTURBATION METHOD [J].
BENSTON, ML ;
KIRTMAN, B .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :126-&
[6]   AB INITIO CALCULATION OF HARMONIC FORCE CONSTANTS [J].
BISHOP, DM ;
RANDIC, M .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (06) :2480-+
[7]   SINGLE-CENTER CALCULATION OF NH3 [J].
BISHOP, DM .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (05) :1787-&
[8]  
BISHOP DM, 1963, MOL PHYS, V39, P479
[9]   AUTOMATIC FUNDAMENTAL CALCULATIONS OF MOLECULAR STRUCTURE [J].
BOYS, SF ;
COOK, GB ;
REEVES, CM ;
SHAVITT, I .
NATURE, 1956, 178 (4544) :1207-1209
[10]  
Brown WB., 1958, P CAMBRIDGE PHIL SOC, V54, P251
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