AM1 STUDY OF HYDROGEN-BONDED MIXED DIMERS OF SUBSTITUTED BENZOIC-ACIDS

被引：10

作者：

DANNENBERG, JJ ^{[1
]}

机构：

[1] GRAD SCH,NEW YORK,NY 10021

来源：

CHEMISTRY OF MATERIALS | 1990年 / 2卷 / 06期

关键词：

D O I：

10.1021/cm00012a006

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：635 / 636

页数：2

共 17 条

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

AGRESTI, A ;

BACCI, M ;

RANFAGNI, A .

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

[2] AN ANALYSIS OF THE INFRARED AND RAMAN-SPECTRA OF THE FORMIC-ACID DIMER (HCOOH)2 [J].

CHANG, YT ;

YAMAGUCHI, Y ;

MILLER, WH ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (24) :7245-7253

[3] IDEAL-GAS THERMODYNAMIC PROPERTIES OF METHANOIC AND ETHANOIC ACIDS [J].

CHAO, J ;

ZWOLINSKI, BJ .

JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1978, 7 (01) :363-377

[4] AM1 MOLECULAR-ORBITAL STUDY OF HYDROGEN-BONDING - GAS-PHASE HYDRATION OF PROTONATED DIAMINES [J].

DANNENBERG, JJ ;

VINSON, LK .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (20) :5635-5639

[5] AN AM1 AND ABINITIO MOLECULAR-ORBITAL STUDY OF WATER DIMER [J].

DANNENBERG, JJ .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (24) :6869-6871

[6] MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .15. RING-CLOSURE AND PROTON-TRANSFER IN FORMIC-ACID DIMER AND BETA-HYDROXYACROLEIN [J].

DELBENE, JE ;

KOCHENOUR, WL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (08) :2041-2046

[7] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907

[8] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J].

DEWAR, MJS ;

ZOEBISCH, EG ;

HEALY, EF ;

STEWART, JJP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3902-3909

[9]

EMSLEY J, 1984, STRUCT BOND, V57, P147

[10]

ETTER MC, 1989, MATERIALS, V1, P10

← 1 2 →