AN ABINITIO SCF STUDY ON THE STABILITY AND STRUCTURE OF H2CN+.NN2 CLUSTERS

被引：7

作者：

HA, TK ^{[1
]}

NGUYEN, MT ^{[1
]}

机构：

[1] CATHOLIC UNIV LEUVEN,DEPT CHEM,B-3030 HEVERLE,BELGIUM

来源：

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES | 1983年 / 38卷 / 08期

关键词：

D O I：

10.1515/zna-1983-0807

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

页码：855 / 858

页数：4

共 12 条

[1] CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER [J].

BOYS, SF .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :296-299

[2] FORMATION OF ORGANIC-MOLECULES ON TITAN [J].

CAPONE, LA ;

PRASAD, SS ;

HUNTRESS, WT ;

WHITTEN, RC ;

DUBACH, J ;

SANTHANAM, K .

NATURE, 1981, 293 (5827) :45-46

[3] AN ABINITIO PREDICTION OF THE J = 1 ]- 0 TRANSITION FREQUENCY OF HNCH+ [J].

DARDI, PS ;

DYKSTRA, CE .

ASTROPHYSICAL JOURNAL, 1980, 240 (03) :L171-L173

[4] AN ABINITIO STUDY OF THE FORMATION AND STRUCTURE OF H2CN+.N2 [J].

HA, TK ;

NGUYEN, MT .

CHEMICAL PHYSICS LETTERS, 1983, 97 (06) :503-507

[5] CONFIGURATION INTERACTION ELECTRIC-DIPOLE MOMENTS FOR HCN, HNC, HNN+, HCO+, HBO, HBF+, AND HCNH+ [J].

HAESE, NN ;

WOODS, RC .

CHEMICAL PHYSICS LETTERS, 1979, 61 (02) :396-398

[6] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES [J].

HEHRE, WJ ;

DITCHFIELD, R ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2257-+

[7]

PETEERS D, QCPE330 BOYL PROGR

[8]

PETERSON MR, 1981, MONSTERGAUSS PROGRAM

[9]

SCHLEGEL HB, 1975, THESIS QUEENS U KING

[10]

SPELLER CV, 1982, CR ACAD SCI II, V294, P1225

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