LCAO SCF COMPUTATIONS FOR AMMONIA

被引:74
作者
KALDOR, U
SHAVITT, I
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D O I
10.1063/1.1727701
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 ;
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页码:888 / &
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[1]   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
[2]   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
[3]  
CADE P, 1965, J CHEM PHYS, V43, pS058
[5]  
COULSON CA, 1961, VALENCE, P221
[6]  
DUNCAN ABF, 1963, J CHEM PHYS, V39, P240, DOI 10.1063/1.1734013
[7]   ELECTRONIC STRUCTURE OF AMMONIA [J].
DUNCAN, ABF .
JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (02) :423-429
[8]  
HERZBERG G, 1945, INFRARED RAMAN SPECT, P439
[9]   ELECTRONIC STRUCTURES OF NH, NH2, AND NH3 [J].
HIGUCHI, J .
JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (03) :535-545