CALCULATIONS OF THE FORCE-FIELD OF THE METHANE MOLECULE

被引：62

作者：

RAYNES, WT

LAZZERETTI, P

ZANASI, R

SADLEJ, AJ

FOWLER, PW

机构：

[1] UNIV MODENA,DEPARTIMENTO CHIM,I-41100 MODENA,ITALY

[2] UNIV LUND,CTR CHEM,S-22007 LUND 7,SWEDEN

[3] UNIV EXETER,DEPT CHEM,EXETER EX4 4QJ,ENGLAND

来源：

MOLECULAR PHYSICS | 1987年 / 60卷 / 03期

关键词：

D O I：

10.1080/00268978700100331

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：509 / 525

页数：17

共 29 条

[1] REPRESENTATIONS OF MOLECULAR FORCE-FIELDS - ETHANE - ABINITIO AND MODEL, HARMONIC AND ANHARMONIC [J].

BARTELL, LS ;

FITZWATER, S ;

HEHRE, WJ .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (11) :4750-4758

[2] ANHARMONIC POTENTIAL FUNCTIONS AS DERIVED FROM RAMAN INTENSITIES - METHANE [J].

BERMEJO, D ;

MONTERO, S .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (09) :3835-3841

[3]

CALIFANO S, 1976, VIBRATIONAL STATES, P179

[4] MULTIPOLE MOMENTS AND POLARIZABILITIES OF CH4 [J].

DIERCKSEN, GHF ;

SADLEJ, AJ .

CHEMICAL PHYSICS LETTERS, 1985, 114 (02) :187-191

[5] SIMPLE PROCEDURE FOR ESTIMATING HARTREE-FOCK-LIMIT ENERGIES OF MOLECULES [J].

ERMLER, WC ;

KERN, CW .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (09) :3860-3862

[6]

FOGARASI G, 1984, ANNU REV PHYS CHEM, V35, P191

[7]

Fogarasi G., 1985, VIBRATIONAL SPECTRA, V14

[8] PROPERTY SURFACES AND MOLECULAR SYMMETRY [J].

FOWLER, PW .

CHEMICAL PHYSICS LETTERS, 1982, 85 (03) :313-316

[9] ON THE ACCURACY OF HIGHER-ORDER FORCE-CONSTANTS CALCULATED AT THE SELF-CONSISTENT FIELD LEVEL OF THEORY [J].

GAW, JF ;

HANDY, NC .

CHEMICAL PHYSICS LETTERS, 1986, 128 (02) :182-188

[10] FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I. [J].

GERRATT, J ;

MILLS, IM .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) :1719-&

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