A THEORETICAL-STUDY OF MOLECULAR-STRUCTURE AND CONFORMATIONAL PREFERENCE OF 3-AMINOPROPIONITRILE

被引:6
作者
SKANCKE, PN
机构
来源
ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY | 1984年 / 38卷 / 02期
关键词
D O I
10.3891/acta.chem.scand.38a-0095
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
引用
收藏
页码:95 / 99
页数:5
相关论文
共 8 条
[1]  
BOYS SF, 1966, QUANTUM THEORY ATOMS, P253
[2]   MICROWAVE-SPECTRUM, CONFORMATIONAL EQUILIBRIUM, INTRAMOLECULAR HYDROGEN-BONDING AND CENTRIFUGAL-DISTORTION OF 3-AMINOPROPIONITRILE [J].
BRAATHEN, OA ;
MARSTOKK, KM ;
MOLLENDAL, H .
ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1983, 37 (06) :493-501
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[4]   RECENT STUDIES OF INTERNAL HYDROGEN-BONDING OF ALCOHOLS, AMINES AND THIOLS [J].
MOLLENDAL, H .
JOURNAL OF MOLECULAR STRUCTURE, 1983, 97 (FEB) :303-310
[5]   AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY [J].
PULAY, P .
MOLECULAR PHYSICS, 1969, 17 (02) :197-&
[6]   EFFICIENT ABINITIO GRADIENT PROGRAM [J].
PULAY, P .
THEORETICA CHIMICA ACTA, 1979, 50 (04) :299-312
[7]   SYSTEMATIC ABINITIO GRADIENT CALCULATION OF MOLECULAR GEOMETRIES, FORCE CONSTANTS, AND DIPOLE-MOMENT DERIVATIVES [J].
PULAY, P ;
FOGARASI, G ;
PANG, F ;
BOGGS, JE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (10) :2550-2560
[8]   MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .17. INTERNAL-ROTATION IN 1,2-DISUBSTITUTED ETHANES [J].
RADOM, L ;
LATHAN, WA ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (03) :693-698