MOLECULAR-ORBITAL CALCULATIONS ON MOLECULES CONTAINING X-N= GROUP

被引:5
作者
DINSMORE, LA
BOGGS, JE
机构
关键词
D O I
10.1063/1.1678281
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:1007 / &
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[1]   EXTENDED HUCKEL THEORY AND SHAPE OF MOLECULES [J].
ALLEN, LC ;
RUSSELL, JD .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (03) :1029-&
[2]   The Electronic Structure of the Vanadyl Ion [J].
Ballhausen, C. J. ;
Gray, Harry B. .
INORGANIC CHEMISTRY, 1962, 1 (01) :111-122
[3]   SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS .I. ELECTRONIC STRUCTURE OF H2O AND H2S [J].
CARROLL, DG ;
ARMSTRONG, AT ;
MCGLYNN, SP .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1865-+
[4]   ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].
CLEMENTI, E ;
RAIMONDI, DL .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&
[5]   SELECTION OF MOLECULAR MATRIX ELEMENTS FROM ATOMIC DATA [J].
CUSACHS, LC ;
REYNOLDS, JW .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S160-+
[7]  
CUSACHS LC, 1966, J CHEM PHYS, V45, P2717, DOI 10.1063/1.1728010
[8]   SELECTION OF MOLECULAR MATRIX ELEMENTS FROM ATOMIC DATA .2. [J].
CUSACHS, LC ;
REYNOLDS, JW ;
BARNARD, D .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (02) :835-&
[9]   GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD [J].
DEWAR, MJS ;
HASELBAC.E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) :590-+
[10]  
DINSMORE LA, 1970, THESIS U TEXAS