ABINITIO CALCULATIONS OF INTERMOLECULAR POTENTIALS - THE GROUND-STATE OF THE AR-H2 VANDERWAALS MOLECULE

被引：16

作者：

DELVALLE, FJO ^{[1
]}

TOLOSA, S ^{[1
]}

PINEIRO, AL ^{[1
]}

REQUENA, A ^{[1
]}

机构：

[1] MURCIA UNIV,DEPT PHYS CHEM,MURCIA,SPAIN

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1985年 / 6卷 / 01期

关键词：

D O I：

10.1002/jcc.540060107

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：39 / 45

页数：7

共 54 条

[1] ROTATIONAL PREDISSOCIATION OF TRIATOMIC VANDERWAALS MOLECULES [J].

BESWICK, JA ;

REQUENA, A .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (05) :3018-3026

[2] STUDY OF INTERMOLECULAR POTENTIALS FOR HYDROGEN-NOBLE GAS PAIRS VIA MOLECULAR-BEAM DIFFERENTIAL SCATTERING MEASUREMENTS [J].

BICKES, RW ;

SCOLES, G ;

SMITH, KM .

CANADIAN JOURNAL OF PHYSICS, 1975, 53 (05) :435-444

[3] NE-H-H POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION [J].

BIRKS, JW ;

JOHNSTON, HS ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) :1741-1747

[4] VANDERWAALS MOLECULES [J].

BLANEY, BL ;

EWING, GE .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1976, 27 :553-586

[5] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].

BOYS, SF ;

BERNARDI, F .

MOLECULAR PHYSICS, 1970, 19 (04) :553-&

[6] DETERMINATION OF INTERMOLECULAR-POTENTIAL PARAMETERS FROM INDUCED INFRARED SPECTRA - COMPLEX H2-AR [J].

CASHION, JK .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (05) :1656-&

[7] IMPROVED ABINITIO EFFECTIVE POTENTIALS FOR AR, KR, AND XE WITH APPLICATIONS TO THEIR HOMONUCLEAR DIMERS [J].

CHRISTIANSEN, PA ;

PITZER, KS ;

LEE, YS ;

YATES, JH ;

ERMLER, WC ;

WINTER, NW .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (11) :5410-5415

[8]

CLEMENTI E, 1963, J CHEM PHYS, V38, P1001, DOI 10.1063/1.1733745

[9]

DELVALLE FJO, UNPUB

[10] BOUND ATOM-DIATOMIC MOLECULE COMPLEXES - ANISOTROPIC INTER-MOLECULAR POTENTIALS FOR HYDROGEN RARE GAS SYSTEMS [J].

DUNKER, AM ;

GORDON, RG .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (02) :700-725

← 1 2 3 4 5 6 →