CALCULATION OF 1-ELECTRON PROPERTIES FOR FORMALDEHYDE MOLECULE WITH LCAO MO SCF FUNCTION OF FOSTER AND BOYS

被引:36
作者
FLYGARE, WH
POCHAN, JM
KERLEY, GI
CAVES, T
KARPLUS, M
AUNG, S
PITZER, RM
CHAN, SI
机构
关键词
D O I
10.1063/1.1728027
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:2793 / &
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[1]   CALCULATION OF HYPERFINE CONSTANTS FOR B11 ANDABSOLUTE TRANSITION PROBABILITIES IN ODD-ODD N 017 [J].
BESSIS, N ;
MOSER, CM ;
LEFEBVREBRION, H .
PHYSICAL REVIEW, 1962, 128 (01) :213-&
[2]  
CAVES T, TO BE PUBLISHED
[3]   VALUES OF [PSIO/SIGMAIRI2/PSIO] FOR H20,NH3 AND CH2O [J].
EISENBERG, D ;
POCHAN, JM ;
FLYGARE, WH .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (12) :4531-+
[4]   EXPERIMENTAL DETERMINATION OF FIELD GRADIENT AT DEUTERON IN FORMALDEHYDE [J].
FLYGARE, WH .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (01) :206-&
[5]   MOLECULAR MAGNETIC MOMENTS AND SUSCEPTIBILITY IN FORMALDEHYDE [J].
FLYGARE, WH .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (05) :1563-&
[6]   EXPERIMENTAL STUDY OF NUCLEAR-QUADRUPOLE AND SPIN-ROTATION INTERACTIONS OF 17O IN FORMALDEHYDE [J].
FLYGARE, WH ;
LOWE, JT .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10P1) :3645-&
[7]   SPIN-ROTATION INTERACTION + MAGNETIC SHIELDING IN MOLECULES [J].
FLYGARE, WH .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (03) :793-&
[8]   A QUANTUM VARIATIONAL CALCULATION FOR HCHO [J].
FOSTER, JM ;
BOYS, SF .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :303-304
[9]   ANALYSIS OF CHARGE DISTRIBUTIONS - HYDROGEN FLUORIDE [J].
KERN, CW ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (05) :1374-+
[10]   GAUSSIAN-TRANSFORM METHOD FOR MOLECULAR INTEGRALS .2. EVALUATION OF MOLECULAR PROPERTIES [J].
KERN, CW ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (02) :415-&