STUDY ON SOME FACTORS GOVERNING ABINITIO FORCE CONSTANTS CALCULATION

被引：19

作者：

POUCHAN, C

DARGELOS, A

CHAILLET, M

机构：

来源：

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE | 1978年 / 75卷 / 06期

关键词：

D O I：

10.1051/jcp/1978750595

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：595 / 605

页数：11

共 28 条

[21]

POUCHAN C, UNPUBLISHED

[22] COMPARISON OF AB-INITIO FORCE CONSTANTS OF ETHANE, ETHYLENE AND ACETYLENE [J].

PULAY, P ;

MEYER, W .

MOLECULAR PHYSICS, 1974, 27 (02) :473-490

[23] AB-INITIO CALCULATION OF FORCE FIELD OF ETHYLENE [J].

PULAY, P ;

MEYER, W .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 40 (01) :59-&

[24]

RYDBERG R, 1931, Z PHYS, V73, P376

[25] Some potential curves of mercury hydrides [J].

Rydberg, Ragnar .

ZEITSCHRIFT FUR PHYSIK, 1933, 80 (7-8) :514-524

[26] AB-INITIO COMPUTATION OF FORCE CONSTANTS .2. ESTIMATION OF DISSOCIATION-ENERGIES FROM AB-INITIO SCF CALCULATIONS [J].

SCHLEGEL, HB ;

WOLFE, S ;

BERNARDI, F .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1975, 53 (23) :3599-3601

[27] AB-INITIO COMPUTATION OF FORCE CONSTANTS .1. 2ND AND 3RD PERIOD HYDRIDES [J].

SCHLEGEL, HB ;

WOLFE, S ;

BERNARDI, F .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08) :3632-3638

[28] AB-INITIO FORCE CONSTANTS FOR HCN MOLECULE - SCF AND CL RESULTS [J].

WAHLGREN, U ;

PACANSKY, J ;

BAGUS, PS .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (07) :2874-2881

← 1 2 3 →