INVESTIGATIONS CONCERNING APPARENT CONTRADICTION BETWEEN MICROWAVE STRUCTURE AND ABINITIO CALCULATIONS OF GLYCINE

被引：159

作者：

SELLERS, HL ^{[1
]}

SCHAFER, L ^{[1
]}

机构：

[1] UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 24期

关键词：

D O I：

10.1021/ja00492a048

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：7728 / 7729

页数：2

共 17 条

[1] COMBINED ABINITIO, ELECTRON-DIFFRACTION, MOLECULAR MECHANICS AND VIBRATIONAL INVESTIGATIONS OF 1,1-DIMETHYL-TRANS-2-DECALONE [J].

ASKARI, M ;

PAULI, GH ;

SCHUBERT, W ;

SCHAFER, L .

JOURNAL OF MOLECULAR STRUCTURE, 1977, 37 (02) :275-281

[2]

BOGGS JE, COMMUNICATION

[3] MICROWAVE-SPECTRUM AND CONFORMATION OF GLYCINE [J].

BROWN, RD ;

GODFREY, PD ;

STOREY, JWV ;

BASSEZ, MP .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1978, (13) :547-548

[4] MOLECULAR-STRUCTURE OF BERYLLOCENE [J].

CHIU, NS ;

SCHAFER, L .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (09) :2604-2607

[5]

CHIU NS, UNPUBLISHED

[6] 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-+

[7]

Herzberg G., 1945, INFRARED RAMAN SPECT

[8] RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR ORBITAL METHODS [J].

MCIVER, JW ;

KOMORNICKI, A .

CHEMICAL PHYSICS LETTERS, 1971, 10 (03) :303-+

[9] COMPUTATIONAL EXPERIENCE WITH QUADRATICALLY CONVERGENT MINIMISATION METHODS [J].

MURTAGH, BA ;

SARGENT, RWH .

COMPUTER JOURNAL, 1970, 13 (02) :185-&

[10] AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY [J].

PULAY, P .

MOLECULAR PHYSICS, 1969, 17 (02) :197-&

← 1 2 →