ABINITIO AND MONTE-CARLO CALCULATIONS FOR A NUCLEOPHILIC-ADDITION REACTION IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION

被引：251

作者：

MADURA, JD ^{[1
]}

JORGENSEN, WL ^{[1
]}

机构：

[1] PURDUE UNIV, DEPT CHEM, W LAFAYETTE, IN 47907 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1986年 / 108卷 / 10期

关键词：

D O I：

10.1021/ja00270a005

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：2517 / 2527

页数：11

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[11] BINKLEY JS, 1982, GAUSSIAN 82 RELEASE
[12] STRUCTURE AND MECHANISM OF CHYMOTRYPSIN
BLOW, DM
[J]. ACCOUNTS OF CHEMICAL RESEARCH, 1976, 9 (04) : 145 - 152
[13] EXPERIMENTAL-STUDY OF NUCLEOPHILIC-ADDITION TO FORMALDEHYDE IN THE GAS-PHASE
BOHME, DK
MACKAY, GI
TANNER, SD
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (01) : 407 - 409
[14] BRUICE TC, 1966, BIOORG MECH, V1, pCH1
[15] FROM CRYSTAL STATICS TO CHEMICAL-DYNAMICS
BURGI, HB
DUNITZ, JD
[J]. ACCOUNTS OF CHEMICAL RESEARCH, 1983, 16 (05) : 153 - 161
[16] GEOMETRICAL REACTION COORDINATES .2. NUCLEOPHILIC ADDITION TO A CARBONYL GROUP
BURGI, HB
DUNITZ, JD
SHEFTER, E
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (15) : 5065 - 5067
[17] STEREOCHEMISTRY OF REACTION PATHS AT CARBONYL CENTERS
BURGI, HB
DUNITZ, JD
LEHN, JM
WIPFF, G
[J]. TETRAHEDRON, 1974, 30 (12) : 1563 - 1572
[18] BURGI HB, 1974, J AM CHEM SOC, V96, P1956
[19] ENERGY COMPONENT ANALYSIS FOR DILUTE AQUEOUS-SOLUTIONS OF LI+, NA+, F-, AND CL- IONS
CHANDRASEKHAR, J
SPELLMEYER, DC
JORGENSEN, WL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (04) : 903 - 910
[20] SN2 REACTION PROFILES IN THE GAS-PHASE AND AQUEOUS-SOLUTION
CHANDRASEKHAR, J
SMITH, SF
JORGENSEN, WL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (10) : 3049 - 3050

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