ABINITIO AND LMO STUDIES ON THE INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .7. THE FORMIC-ACID DIMER - INFLUENCE OF HYDROGEN-BONDING AND ISOTOPIC-SUBSTITUTION

被引：13

作者：

BERCKMANS, D

FIGEYS, HP

MARECHAL, Y

GEERLINGS, P

机构：

[1] FREE UNIV BRUSSELS,FAC SCI,DEPT ORGAN & PHYS ORGAN CHEM,B-1050 BRUSSELS,BELGIUM

[2] CEN,DEPT RECH FONDAMENTALE,SERV PHYS,F-38041 GRENOBLE,FRANCE

[3] VRIJE UNIV BRUSSEL,FAC WETENSCHAPPEN,B-1050 BRUSSELS,BELGIUM

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1988年 / 92卷 / 01期

关键词：

D O I：

10.1021/j100312a017

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：66 / 73

页数：8

共 84 条

[1] NON-EMPIRICAL CALCULATIONS ON INTRAMOLECULAR REARRANGEMENT IN DIMER OF FORMIC ACID [J].

ADY, E ;

BRICKMANN, J .

CHEMICAL PHYSICS LETTERS, 1971, 11 (03) :302-+

[2] HOW RELIABLE ARE CALCULATIONS ON PROTON TUNNELING [J].

AGRESTI, A ;

BACCI, M ;

RANFAGNI, A .

CHEMICAL PHYSICS LETTERS, 1981, 79 (01) :100-104

[3] SELF-ASSOCIATION OF OXIME - ELECTRONIC AND VIBRATIONAL-STRUCTURES OF FORMALDOXIME MONOMER, DIMER, AND TRIMER [J].

AKAGI, K ;

TANABE, Y ;

YAMABE, T .

JOURNAL OF MOLECULAR STRUCTURE, 1983, 102 (1-2) :103-113

[4] THE IN-EQUIVALENCE OF THE HCL MOLECULES IN (HCL)2 - AN SCF ABINITIO CALCULATION [J].

ALLAVENA, M ;

SILVI, B ;

CIPRIANI, J .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (09) :4573-4577

[5] A REINVESTIGATION OF STRUCTURE OF MONOMER AND DIMER FORMIC ACID BY GAS ELECTRON DIFFRACTION TECHNIQUE [J].

ALMENNINGEN, A ;

BASTIANSEN, O ;

MOTZFELDT, T .

ACTA CHEMICA SCANDINAVICA, 1969, 23 (08) :2848-+

[6] VALENCE ELECTRON DENSITY DISTRIBUTION OF HYDROGEN BONDED SYSTEM IN ITERATIVE EXTENDED HUCKEL APPROACH .1. DIMERS OF FORMIC AND ACETIC ACID [J].

ALMLOF, J ;

MARTENSS.O .

ACTA CHEMICA SCANDINAVICA, 1971, 25 (04) :1413-&

[7] STRUCTURES, HARMONIC FREQUENCIES AND INFRARED INTENSITIES OF THE DIMERS OF H2O AND H2S [J].

AMOS, RD .

CHEMICAL PHYSICS, 1986, 104 (01) :145-151

[8] ABINITIO AND LMO STUDIES ON THE INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .6. THE FORMIC-ACID MONOMER - INFLUENCE OF ISOTOPIC-SUBSTITUTION [J].

BERCKMANS, D ;

FIGEYS, HP ;

GEERLINGS, P .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (01) :61-65

[9]

BERCKMANS D, 1987, J MOL STRUCT, V149, P243

[10] THE RAMAN-ACTIVE O-H AND O-D STRETCHING VIBRATIONS AND RAMAN-SPECTRA OF GASEOUS FORMIC ACID-D1 AND ACID-OD [J].

BERTIE, JE ;

MICHAELIAN, KH ;

EYSEL, HH ;

HAGER, D .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (09) :4779-4789

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