VIBRATIONAL FREQUENCY-SHIFTS IN HYDROGEN-BONDED SYSTEMS - THE HYDROGEN-FLUORIDE DIMER AND TRIMER

被引：134

作者：

GAW, JF

YAMAGUCHI, Y

VINCENT, MA

SCHAEFER, HF

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

[2] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1984年 / 106卷 / 11期

关键词：

D O I：

10.1021/ja00323a011

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：3133 / 3138

页数：6

共 45 条

[1] FITTING AN AB-INITIO HF-HF POTENTIAL SURFACE [J].

ALEXANDER, MH ;

DEPRISTO, AE .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (11) :5009-5016

[2] FTIR SPECTRA OF (HF)2 AND (HF)3 SPECIES IN SOLID ARGON AT 12-K [J].

ANDREWS, L ;

JOHNSON, GL .

CHEMICAL PHYSICS LETTERS, 1983, 96 (02) :133-138

[3] INFRARED-SPECTRA OF OC-HX HYDROGEN-BONDED COMPLEXES IN SOLID ARGON [J].

ANDREWS, L ;

ARLINGHAUS, RT ;

JOHNSON, GL .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (11) :6347-6352

[4] MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].

BARTLETT, RJ .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401

[5] ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH [J].

BROOKS, BR ;

LAIDIG, WD ;

SAXE, P ;

GODDARD, JD ;

YAMAGUCHI, Y ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (08) :4652-4653

[6] LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION [J].

BROOKS, BR ;

LAIDIG, WD ;

SAXE, P ;

HANDY, NC ;

SCHAEFER, HF .

PHYSICA SCRIPTA, 1980, 21 (3-4) :312-322

[7] STRONG HYDROGEN-BONDING IN THE POLYFLUORIDES - ABINITIO CALCULATIONS AND A NEW METHOD OF PREPARING POTASSIUM HYDROGENDIFLUORIDE [J].

CLARK, JH ;

EMSLEY, J ;

OVERILL, RE .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1981, (05) :1219-1222

[8] CROSS-CORRELATION TRAJECTORY STUDY OF VIBRATIONAL-RELAXATION OF DF(V=1 TO 7) BY DF(V=O) AND OF HF BY HF [J].

COLTRIN, ME ;

MARCUS, RA .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (05) :2379-2383

[9] MOLECULAR-ORBITAL CALCULATION OF SOME VIBRATIONAL PROPERTIES OF COMPLEX BETWEEN HCN AND HF [J].

CURTISS, LA ;

POPLE, JA .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 48 (03) :413-426

[10] ABINITIO CALCULATION OF FORCE-FIELD OF HYDROGEN-FLUORIDE DIMER [J].

CURTISS, LA ;

POPLE, JA .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (01) :1-10

← 1 2 3 4 5 →