ABINITIO CALCULATIONS FOR GROUND-STATE AND INVERSION BARRIER OF NCL3

被引：3

作者：

FAEGRI, K

KOSMUS, W

机构：

[1] UNIV GRAZ,INST ANORGAN & ANALYT CHEM,A-8010 GRAZ,AUSTRIA

[2] UNIV BERGEN,DEPT CHEM,N-5014 BERGEN,NORWAY

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1977年 / 73卷

关键词：

D O I：

10.1039/f29777301602

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1602 / 1615

页数：14

共 20 条

[1] Energy component analysis of rotational barriers [J].

Allen, L. C. .

CHEMICAL PHYSICS LETTERS, 1968, 2 (08) :597-601

[2]

ALMLOF J, 1972, 7209 U STOCKH I PHYS

[3]

BAYERSDORFER L, 1968, Z NATURFORSCH, V236, P1602

[4] MOLECULAR STRUCTURE OF NITROGEN TRICHLORIDE AS DETERMINED BY ELECTRON DIFFRACTION [J].

BURGI, HB ;

STEDMAN, D ;

BARTELL, LS .

JOURNAL OF MOLECULAR STRUCTURE, 1971, 10 (01) :31-&

[5] STRUCTURE AND VIBRATIONAL SPECTRUM OF NITROGEN TRICHLORIDE [J].

CARTER, JC ;

BRATTON, RF ;

JACKOVITZ, JF .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (09) :3751-+

[6]

CAZZOLI G, 1974, J MOL SPECTROSC, V53, P37, DOI 10.1016/0022-2852(74)90258-6

[7] MOLECULAR-STRUCTURE, NUCLEAR-QUADRUPOLE COUPLING-CONSTANT AND DIPOLE-MOMENT OF NITROGEN TRICHLORIDE FORM MICROWAVE SPECTROSCOPY [J].

CAZZOLI, G ;

FAVERO, PG ;

DALBORGO, A .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1974, 50 (1-3) :82-89

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[9] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (08) :3958-&

[10] UNTERSUCHUNG UBER DIE BASISCHEN EIGENSCHAFTEN VON CHLORAMIN UND CHLORSTICKSTOFF [J].

ENGELBRECHT, A .

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1964, 331 (1-2) :42-43

← 1 2 →