MULTIDIMENSIONAL EXPLORATIONS INTO CHEMICAL-REACTIVITY - THE REACTIVITY SPACE

被引：7

作者：

GASTEIGER, J

ROSE, P

SALLER, H

机构：

[1] Technical Univ of Munich, Germany

来源：

JOURNAL OF MOLECULAR GRAPHICS | 1988年 / 6卷 / 02期

关键词：

We would like to thank the coworkers involved in the development of the methods for calculating the chemical effects as well as those people mentioned in the references. We are grateful to the Bundesminister fur Forschung und Technologie for the funds to buy the hardware used in this study (BMFT-project 106 3213-2);

D O I：

10.1016/0263-7855(88)85005-7

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：87 / 92

页数：6

共 10 条

[1] ELUCIDATING CHEMICAL-REACTIVITY BY PATTERN-RECOGNITION METHODS
GASTEIGER, J
SALLER, H
LOW, P
[J]. ANALYTICA CHIMICA ACTA, 1986, 191 : 111 - 123
[2] CALCULATION OF THE CHARGE-DISTRIBUTION IN CONJUGATED SYSTEMS BY A QUANTIFICATION OF THE RESONANCE CONCEPT
GASTEIGER, J
SALLER, H
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1985, 24 (08): : 687 - 689
[3] ITERATIVE PARTIAL EQUALIZATION OF ORBITAL ELECTRONEGATIVITY - A RAPID ACCESS TO ATOMIC CHARGES
GASTEIGER, J
MARSILI, M
[J]. TETRAHEDRON, 1980, 36 (22) : 3219 - 3228
[4] QUANTIFICATION OF EFFECTIVE POLARIZABILITY - APPLICATIONS TO STUDIES OF X-RAY PHOTOELECTRON-SPECTROSCOPY AND ALKYLAMINE PROTONATION
GASTEIGER, J
HUTCHINGS, MG
[J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1984, (03): : 559 - 564
[5] AUTOMATIC ESTIMATION OF HEATS OF ATOMIZATION AND HEATS OF REACTION
GASTEIGER, J
[J]. TETRAHEDRON, 1979, 35 (11) : 1419 - 1426
[6] GASTEIGER J, 1987, TOP CURR CHEM, V137, P19
[7] GASTEIGER J, 1985, ANGEW CHEM, V97, P699
[8] GASTEIGER J, 1987, PREDICTION CHEM REAC
[9] Gasteiger J., UNPUB
[10] RESIDUAL ELECTRONEGATIVITY - AN EMPIRICAL QUANTIFICATION OF POLAR INFLUENCES AND ITS APPLICATION TO THE PROTON AFFINITY OF AMINES
HUTCHINGS, MG
GASTEIGER, J
[J]. TETRAHEDRON LETTERS, 1983, 24 (25) : 2541 - 2544

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