ELECTRONIC STRUCTURE AND INVERSION BARRIER OF AMMONIA

被引:243
作者
RAUK, A
ALLEN, LC
CLEMENTI, E
机构
关键词
D O I
10.1063/1.1673621
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:4133 / &
相关论文
共 31 条
[1]   X-RAY SCATTERING BY NEON-LIKE MOLECULES [J].
BANYARD, KE ;
MARCH, NH .
ACTA CRYSTALLOGRAPHICA, 1956, 9 (04) :385-391
[2]   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
[3]   SIMPLE ONE-CENTRE CALCULATION OF BREATHING FORCE CONSTANTS AND EQUILIBRIUM INTERNUCLEAR DISTANCES FOR NH3, H2O AND HF [J].
BISHOP, DM ;
HOYLAND, JR ;
PARR, RG .
MOLECULAR PHYSICS, 1963, 6 (05) :467-476
[4]   SINGLE-CENTER CALCULATION OF NH3 [J].
BISHOP, DM .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (05) :1787-&
[5]   SCF WAVEFUNCTIONS FOR NH3 MOLECULE . POTENTIAL-ENERGY SURFACE AND VIBRATIONAL FORCE CONSTANTS [J].
BODY, RG ;
MCCLURE, DS .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) :4916-&
[6]   ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH [J].
CADE, PE ;
HUO, WM .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :614-&
[7]   ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS [J].
CADE, PE ;
SALES, KD ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1973-&
[9]  
Clementi E, 1967, J COMPUT PHYS, V2, P223
[10]   ELECTRONIC STRUCTURE OF AMMONIA [J].
DUNCAN, ABF .
JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (02) :423-429