ABINITIO SCF-MO STUDY ON THE FORCE-FIELD OF AMIDES

被引：39

作者：

SUGAWARA, Y

HIRAKAWA, AY

TSUBOI, M

KATO, S

MOROKUMA, K

机构：

[1] UNIV TOKYO,FAC PHARMACEUT SCI,BUNKYO KU,TOKYO 113,JAPAN

[2] INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1986年 / 115卷 / 01期

关键词：

D O I：

10.1016/0022-2852(86)90272-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

引用

页码：21 / 33

页数：13

共 26 条

[1] FORCE-FIELD CALCULATIONS FOR FORMAMIDE, ACETAMIDE, AND UREA USING THE CNDO FORCE METHOD [J].

ANNAMALAI, A ;

SINGH, S .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (02) :860-869

[2]

BALAZS A, 1981, ACTA CHIM HUNG, V108, P265

[3] A COMPARATIVE ABINITIO STUDY OF THE STRUCTURES, DIPOLE-MOMENTS, FORCE-FIELDS, AND ANHARMONIC FREQUENCIES OF FORMAMIDE AND THIOFORMAMIDE [J].

BOCK, CW ;

TRACHTMAN, M ;

GEORGE, P .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1981, 89 (01) :76-92

[4] IS FORMAMIDE PLANAR OR NONPLANAR [J].

CARLSEN, NR ;

RADOM, L ;

RIGGS, NV ;

RODWELL, WR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (08) :2233-2234

[5] VIBRATIONAL-SPECTRA AND CONFORMATIONS OF SOME PEPTIDE COMPOUNDS - APPLICATION OF ADDITIVE INTERATOMIC INTERACTION MODEL [J].

DAKHIS, MI ;

DASHEVSKY, VG ;

KITAIGORODSKY, AI .

BIOPOLYMERS, 1973, 12 (08) :1763-1780

[6] STRUCTURE OF MATRIX-ISOLATED N-METHYLACETAMIDE [J].

FILLAUX, F ;

DELOZE, C .

CHEMICAL PHYSICS LETTERS, 1976, 39 (03) :547-551

[7] GEOMETRY OF SOME AMIDES OBTAINED FROM ABINITIO CALCULATIONS [J].

FOGARASI, G ;

PULAY, P ;

TOROK, F ;

BOGGS, JE .

JOURNAL OF MOLECULAR STRUCTURE, 1979, 57 (DEC) :259-270

[8] VALENCE FORCE-FIELD AND NORMAL MODES OF ACETAMIDE [J].

GARRIGOU.C .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1974, 71 (02) :149-154

[9] INFRARED INVESTIGATION OF FORMAMIDE, ACETAMIDE AND THIOACETAMIDE IN THE VAPOR-PHASE - INVERSION OF THE AMINO GROUP [J].

HANSEN, EL ;

LARSEN, NW ;

NICOLAISEN, FM .

CHEMICAL PHYSICS LETTERS, 1980, 69 (02) :327-331

[10] VALENCE FORCE FIELD FOR AMIDE GROUP [J].

JAKES, J ;

KRIMM, S .

SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1971, A 27 (01) :19-&

← 1 2 3 →