MOLECULAR SIMILARITY AND MOLECULAR SHAPE CHANGES ALONG REACTION PATHS - A TOPOLOGICAL ANALYSIS AND CONSEQUENCES ON THE HAMMOND POSTULATE

被引：37

作者：

ARTECA, GA

MEZEY, PG

机构：

[1] UNIV SASKATCHEWAN,DEPT CHEM,SASKATOON S7N 0W0,SASKATCHEWAN,CANADA

[2] UNIV SASKATCHEWAN,DEPT MATH,SASKATOON S7N 0W0,SASKATCHEWAN,CANADA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1989年 / 93卷 / 12期

关键词：

D O I：

10.1021/j100349a014

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：4746 / 4751

页数：6

共 77 条

[1] QUANTITATIVE HAMMOND POSTULATE [J].

AGMON, N .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1978, 74 :388-404

[2]

Angyan J., 1983, J THEOR BIOL, V103, P777

[3]

[Anonymous], 1963, MODERN CHEM KINETICS

[4]

[Anonymous], CONFORMATIONAL PROPE

[5] SURFACE FRACTALITY AS A GUIDE FOR STUDYING PROTEIN - PROTEIN INTERACTIONS [J].

AQVIST, J ;

TAPIA, O .

JOURNAL OF MOLECULAR GRAPHICS, 1987, 5 (01) :30-&

[6]

Arteca G.A., 1988, J MOL STRUC-THEOCHEM, V166, P11

[7] VALIDITY OF THE HAMMOND POSTULATE AND CONSTRAINTS ON GENERAL ONE-DIMENSIONAL REACTION BARRIERS [J].

ARTECA, GA ;

MEZEY, PG .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1988, 9 (07) :728-744

[8] MOLECULAR-CONFORMATIONS AND MOLECULAR SHAPE - A DISCRETE CHARACTERIZATION OF CONTINUA OF VANDERWAALS SURFACES [J].

ARTECA, GA ;

MEZEY, PG .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1988, 34 (06) :517-526

[9] SHAPE GROUP STUDIES OF MOLECULAR SIMILARITY AND REGIOSELECTIVITY IN CHEMICAL-REACTIONS [J].

ARTECA, GA ;

JAMMAL, VB ;

MEZEY, PG .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1988, 9 (06) :608-619

[10] SHAPE GROUP STUDIES OF MOLECULAR SIMILARITY - RELATIVE SHAPES OF VANDERWAALS AND ELECTROSTATIC POTENTIAL SURFACES OF NICOTINIC AGONISTS [J].

ARTECA, GA ;

JAMMAL, VB ;

MEZEY, PG ;

YADAV, JS ;

HERMSMEIER, MA ;

GUND, TM .

JOURNAL OF MOLECULAR GRAPHICS, 1988, 6 (01) :45-53

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