HYDROGEN-BONDING AND PROTON TRANSFERS INVOLVING THE CARBOXYLATE GROUP

被引:82
作者
CYBULSKI, SM [1 ]
SCHEINER, S [1 ]
机构
[1] SO ILLINOIS UNIV,DEPT CHEM & BIOCHEM,CARBONDALE,IL 62901
关键词
D O I
10.1021/ja00183a004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
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页码:23 / 31
页数:9
相关论文
共 56 条
[1]   QUANTUM-MECHANICAL AND MOLECULAR MECHANICAL STUDIES ON A MODEL FOR THE DIHYDROXYACETONE PHOSPHATE GLYCERALDEHYDE PHOSPHATE ISOMERIZATION CATALYZED BY TRIOSEPHOSPHATE ISOMERASE (TIM) [J].
ALAGONA, G ;
DESMEULES, P ;
GHIO, C ;
KOLLMAN, PA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (12) :3623-3632
[2]   BIFURCATED VS LINEAR HYDROGEN-BOND - DIMETHYL-PHOSPHATE AND FORMATE ANION INTERACTIONS WITH WATER [J].
ALAGONA, G ;
GHIO, C ;
KOLLMAN, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (16) :5226-5230
[3]   AN ALGORITHM FOR THE LOCATION OF TRANSITION-STATES [J].
BAKER, J .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (04) :385-395
[4]  
BARTMESS JE, 1979, GAS PHASE ION CHEM, V2, P53
[5]   CATION BINDING EFFECT ON HYDROGEN-BONDING [J].
BASCH, H ;
KRAUSS, M ;
STEVENS, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (25) :7267-7271
[6]   MOLECULAR-POTENTIAL, CATION BINDING, AND HYDRATION PROPERTIES OF THE CARBOXYLATE ANION - ABINITIO STUDIES WITH AN EXTENDED POLARIZED BASIS SET [J].
BERTHOD, H ;
PULLMAN, A .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (01) :87-95
[7]  
Binkley J. S, 1982, GAUSSIAN 82
[8]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[9]  
Caldin E.F., 1975, PROTON TRANSFER REAC
[10]   THEORETICAL-ANALYSIS OF PROTON TRANSFERS IN SYMMETRIC AND ASYMMETRIC SYSTEMS [J].
CAO, HZ ;
ALLAVENA, M ;
TAPIA, O ;
EVLETH, EM .
JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (09) :1581-1592