THEORETICAL MODELING OF SPECIFIC SOLVATION EFFECTS UPON CARBONYL ADDITION

被引:151
作者
WILLIAMS, IH
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10.1021/ja00255a012
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O6 [化学];
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0703 ;
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页码:6299 / 6307
页数:9
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[2]  
AMOS RD, 1984, CADPAC CCP1844 SERC
[3]  
[Anonymous], 1978, TRANSITION STATES BI
[4]   KINETICS OF DEHYDRATION OF METHYLENE GLYCOL IN AQUEOUS SOLUTION [J].
BELL, RP ;
EVANS, PG .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 291 (1426) :297-+
[5]   KINETICS OF REVERSIBLE HYDRATION OF 1,3-DICHLOROACETONE IN DIOXAN AND ACETONITRILE SOLUTION [J].
BELL, RP ;
MILLINGT.JP ;
PINK, JM .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1968, 303 (1472) :1-&
[6]   REACTION ORDERS AND ISOTOPE EFFECTS IN REVERSIBLE ADDITION OF WATER TO 1,3-DICHLOROACETONE IN AQUEOUS DIOXAN [J].
BELL, RP ;
CRITCHLO.JE .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1971, 325 (1560) :35-&
[7]   THERMODYNAMIC AND ACTIVATION PARAMETERS IN REVERSIBLE HYDRATION OF 1,3-DICHLOROACETONE IN DIOXAN [J].
BELL, RP ;
SORENSEN, PE .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1972, (12) :1740-&
[8]   A NEW EFFICIENT METHOD FOR LOCATING SADDLE POINTS [J].
BELL, S ;
CRIGHTON, JS ;
FLETCHER, R .
CHEMICAL PHYSICS LETTERS, 1981, 82 (01) :122-126
[9]   LOCATING TRANSITION-STATES [J].
BELL, S ;
CRIGHTON, JS .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (06) :2464-2475
[10]   GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293