CUBIC FORCE-CONSTANTS OF THE FHOH2 AND FHO(CH3)2 HYDROGEN-BONDED COMPLEXES - ANALYSIS OF COMPUTED ABINITIO SCF-VALUES

被引：19

作者：

BOUTEILLER, Y ^{[1
]}

ALLAVENA, M ^{[1
]}

LECLERCQ, JM ^{[1
]}

机构：

[1] CNRS, CTR MECAN ONDULATOIRE APPL, F-75019 PARIS, FRANCE

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 69卷 / 03期

关键词：

D O I：

10.1016/0009-2614(80)85118-9

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：521 / 524

页数：4

共 34 条

[1] HYDROGEN BONDING IN GASEOUS MIXTURES .2. INFRARED SPECTRA OF ETHER-HYDROGEN FLUORIDE SYSTEMS [J].

ARNOLD, J ;

MILLEN, DJ .

JOURNAL OF THE CHEMICAL SOCIETY, 1965, (JAN) :503-&

[2] EXISTENCE AND MOLECULAR-PROPERTIES OF A GAS-PHASE, HYDROGEN-BONDED COMPLEX BETWEEN HYDROGEN-FLUORIDE AND WATER ESTABLISHED FROM MICROWAVE SPECTROSCOPY [J].

BEVAN, JW ;

LEGON, AC ;

MILLEN, DJ ;

ROGERS, SC .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1975, (09) :341-343

[3] GAS-PHASE OBSERVATION OF THE 1ST OVERTONE OF THE H-F STRETCHING FUNDAMENTAL IN HYDROGEN-BONDED COMPLEXES [J].

BEVAN, JW ;

MARTINEAU, B ;

SANDORFY, C .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1979, 57 (11) :1341-1349

[4]

BOUTEILLER Y, UNPUBLISHED

[5] INFRARED SPECTRA OF MOLECULES WITH HYDROGEN BONDS [J].

BRATOZ, S ;

HADZI, D .

JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (05) :991-997

[6]

CSIZMADIA IG, COMMUNICATION

[7] 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

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

CURTISS, LA ;

POPLE, JA .

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

[9] MOLECULAR-ORBITAL STUDY OF PROTONATION - GEOMETRY AND BASIS SET DEPENDENCE OF COMPUTED PROTON AFFINITIES [J].

DELBENE, JE .

CHEMICAL PHYSICS LETTERS, 1978, 55 (02) :235-238

[10] MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .12. AMIDE HYDROGEN-BONDING IN FORMAMIDE-WATER AND FORMAMIDE-FORMALDEHYDE SYSTEMS [J].

DELBENE, JE .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (05) :1961-1970

← 1 2 3 4 →