A THEORETICAL PREDICTION OF THE STRUCTURE AND ENERGY OF THE METASTABLE SYMMETRIC CIS-NITRIC OXIDE DIMER

被引：21

作者：

BARDO, RD

机构：

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 24期

关键词：

D O I：

10.1021/j100221a003

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：4658 / 4659

页数：2

共 10 条

[1] EVEN-TEMPERED ATOMIC ORBITALS .4. ATOMIC ORBITAL BASES WITH PSEUDOSCALING CAPABILITY FOR MOLECULAR CALCULATIONS [J].

BARDO, RD ;

RUEDENBERG, K .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) :5966-5977

[2] VOLUME OF ACTIVATION IN THE SHOCK INITIATION OF EXPLOSIVES [J].

BARDO, RD ;

HALL, TN ;

KAMLET, MJ .

COMBUSTION AND FLAME, 1979, 35 (03) :259-265

[3]

BARDO RD, UNPUB 7TH P S INT DE

[4] A MOLECULAR-ORBITAL COMPARISON OF THE ASYMMETRIC AND SYMMETRIC NITRIC-OXIDE DIMERS [J].

BENZEL, MA ;

DYKSTRA, CE ;

VINCENT, MA .

CHEMICAL PHYSICS LETTERS, 1981, 78 (01) :139-142

[5]

Laane J., 1980, PROG INORG CHEM, V27, P465

[6]

OHLSEN JR, 1978, J AM CHEM SOC, V100, P6498

[7] PRE-PROCESSING 2-ELECTRON INTEGRALS FOR EFFICIENT UTILIZATION IN MANY-ELECTRON SELF-CONSISTENT FIELD CALCULATIONS [J].

RAFFENET.RC .

CHEMICAL PHYSICS LETTERS, 1973, 20 (04) :335-338

[8]

Ramsay J. B., 1976, 6TH P S DET, P723

[9] CAUSSIAN BASIS SETS FOR FIRST AND SECOND ROW ATOMS [J].

ROOS, B ;

SIEGBAHN, P .

THEORETICA CHIMICA ACTA, 1970, 17 (03) :209-&

[10]

SKAARUP S, 1976, J AM CHEM SOC, V98, P6106, DOI 10.1021/ja00436a005

← 1 →