ON CONSTRUCTION OF POTENTIAL ENERGY MATRIX

被引：25

作者：

AVERBUKH, BS

MAYANTS, LS

SHALTUPE.GB

机构：

[1] The Institute of Elemento-Organic Compounds, the Academy of Sciences, the USSR, Moscow

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1969年 / 30卷 / 02期

关键词：

D O I：

10.1016/0022-2852(69)90266-5

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：

The fallacy of attempts to develop a method of computation of the force constants (elements of potential energy matrix F) from the complete set of vibration frequencies of a molecule has been shown. © 1969.

引用

页码：310 / &

共 12 条

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MATTES, R .

SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1967, A 23 (08) :2449-&

[2]

BILLES F, 1966, ACTA CHIM HUNG, V47, P53

[3]

CYVIN SJ, 1967, ACTA CHIM HUNG, V51, P217

[4]

Decius J. C., 1955, MOLECULAR VIBRATIONS

[5]

FADINI A, 1967, THESIS TH STUTTGART

[6] CONCERNING A NEW METHOD FOR DETERMINATION OF VIBRATIONAL FORCE CONSTANTS OF MOLECULES [J].

FREEMAN, DE .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1967, 22 (03) :305-&

[7] METHOD FOR COMPUTATION OF APPROXIMATE VIBRATIONAL FORCE CONSTANTS [J].

HERRANZ, J ;

CASTANO, F .

SPECTROCHIMICA ACTA, 1966, 22 (11) :1965-&

[8]

KOPTEV GS, 1967, VESTN MOSK U I, V3, P86

[9]

KOPTEV GS, 1966, VESTNIK MOSKOV U F N, V6, P3

[10]

MAYANTS LS, 1967, ZH STRUKT KHIM, V8, P565

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