FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF AMMONIA FROM HARTREE-FOCK CALCULATIONS

被引：86

作者：

PULAY, P

MEYER, W

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1972年 / 57卷 / 08期

关键词：

D O I：

10.1063/1.1678763

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

收藏

页码：3337 / &

相关论文

共 10 条

[1] SCF WAVEFUNCTIONS FOR NH3 MOLECULE . POTENTIAL-ENERGY SURFACE AND VIBRATIONAL FORCE CONSTANTS
BODY, RG
MCCLURE, DS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) : 4916 - &
[2] THE CALCULATION OF FORCE CONSTANTS AND NORMAL COORDINATES .4. XH4 AND XH3 MOLECULES
DUNCAN, JL
MILLS, IM
[J]. SPECTROCHIMICA ACTA, 1964, 20 (03): : 523 - 546
[3] ECKHART C, 1935, PHYS REV, V47, P552
[4] GERATT G, 1968, J CHEM PHYS, V48, P1719
[5] NEAR-HARTREE-FOCK CALCULATIONS OF FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES IN METHANE
MEYER, W
PULAY, P
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) : 2109 - &
[6] AB-INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES .3. SECOND-ROW HYDRIDES
PULAY, P
[J]. MOLECULAR PHYSICS, 1971, 21 (02) : 329 - &
[7] AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY
PULAY, P
[J]. MOLECULAR PHYSICS, 1969, 17 (02) : 197 - &
[8] ELECTRONIC STRUCTURE AND INVERSION BARRIER OF AMMONIA
RAUK, A
ALLEN, LC
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (08) : 4133 - &
[9] COMPARISON OF EXPERIMENTALLY DERIVED AND THEORETICALLY CALCULATED DERIVATIVES OF ENERGY KINETIC ENERGY AND POTENTIAL ENERGY FOR CO
SCHWENDEMAN, RH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 2115 - +
[10] YDE PB, 1968, THESIS AARHUS U