Solvent effects and chemical reactivity / edited by Orlando Tapia and Juan Bertran.

This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting s...

Full description

Saved in:
Bibliographic Details
Other Authors: Tapia, Orlando, 1938-, Bertrán, J. (Juan), 1931-
Format: eBook
Language:English
Published: Dordrecht ; Boston : Kluwer Academic Publishers, ©1996.
Series:Understanding chemical reactivity ; v. 17.
Subjects:
Online Access:Click for online access

MARC

LEADER 00000cam a2200000Ma 4500
001 ocn231580549
003 OCoLC
005 20250225213021.0
006 m o d
007 cr zn|---|||||
008 960228s1996 ne a ob 001 0 eng d
010 |z  96010935  
040 |a MNU  |b eng  |e pn  |c MNU  |d OCLCG  |d OCLCQ  |d COCUF  |d EBLCP  |d OCLCQ  |d MERUC  |d CCO  |d E7B  |d IDEBK  |d OCLCQ  |d OCLCF  |d DKDLA  |d OCLCQ  |d OCLCO  |d YDXCP  |d COO  |d OCLCQ  |d AZK  |d MOR  |d PIFBR  |d ZCU  |d OTZ  |d OCLCQ  |d WY@  |d U3W  |d STF  |d WRM  |d OCLCQ  |d ICG  |d CEF  |d NRAMU  |d CRU  |d INT  |d VT2  |d AU@  |d OCLCQ  |d WYU  |d CANPU  |d TKN  |d OCLCQ  |d W2U  |d DKC  |d OCLCQ  |d CNTRU  |d OCLCQ  |d UKCRE  |d UKAHL  |d OCLCO  |d SGP  |d OCLCQ  |d OCLCO  |d OCLCL 
019 |a 439664060  |a 559173098  |a 646717583  |a 888683153  |a 923696791  |a 961493736  |a 962700313  |a 988476496  |a 992096937  |a 994719955  |a 1035707069  |a 1037902990  |a 1038599423  |a 1044231917  |a 1055359427  |a 1056331719  |a 1057973723  |a 1065044288  |a 1078844738  |a 1078869626  |a 1081217528  |a 1087373489  |a 1097272428  |a 1153477782  |a 1228582478 
020 |a 0792339959  |q (Cloth) 
020 |a 9780792339953  |q (Cloth) 
020 |a 0306469316  |q (electronic bk.) 
020 |a 9780306469312  |q (electronic bk.) 
020 |a 6610205418 
020 |a 9786610205417 
035 |a (OCoLC)231580549  |z (OCoLC)439664060  |z (OCoLC)559173098  |z (OCoLC)646717583  |z (OCoLC)888683153  |z (OCoLC)923696791  |z (OCoLC)961493736  |z (OCoLC)962700313  |z (OCoLC)988476496  |z (OCoLC)992096937  |z (OCoLC)994719955  |z (OCoLC)1035707069  |z (OCoLC)1037902990  |z (OCoLC)1038599423  |z (OCoLC)1044231917  |z (OCoLC)1055359427  |z (OCoLC)1056331719  |z (OCoLC)1057973723  |z (OCoLC)1065044288  |z (OCoLC)1078844738  |z (OCoLC)1078869626  |z (OCoLC)1081217528  |z (OCoLC)1087373489  |z (OCoLC)1097272428  |z (OCoLC)1153477782  |z (OCoLC)1228582478 
050 4 |a QD505.5  |b .S65 1996eb 
049 |a HCDD 
245 0 0 |a Solvent effects and chemical reactivity /  |c edited by Orlando Tapia and Juan Bertran. 
260 |a Dordrecht ;  |a Boston :  |b Kluwer Academic Publishers,  |c ©1996. 
300 |a 1 online resource (x, 377 pages) :  |b illustrations 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
347 |a data file  |2 rda 
490 1 |a Understanding chemical reactivity. ;  |v v. 17 
504 |a Includes bibliographical references and index. 
588 0 |a Print version record. 
505 0 |a COVER -- TABLE OF CONTENTS -- PREFACE -- 1. CONTINUUM SOLVATION MODELS -- 2. THEORETICAL BASIS FOR THE TREATMENT OF SITY FUNCTIONAL THEORY SOLVENT EFFECTS IN THE CONTEXT OF DENSITY FUNCTIONAL THEORY -- 3. MONTE CARLO SIMULATIONS OF CHEMICAL REACTIONS IN SOLUTION -- 4. COMPUTER SIMULATION FOR CHEMICAL SYSTEMS: FROM VACUUM TO SOLUTION -- 5. CROSSING THE TRANSITION STATE IN SOLUTION -- 6. VALENCE BOND MULTISTATE APPROACH TO CHEMICAL REACTIONS IN SOLUTION -- 7. QUANTUM THEORY OF SOLVENT EFFECTS AND CHEMICAL REACTIONS. 
520 |a This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting system is difficult to overestimate. Applications go from condensed phase chemistry, biochemical reactions in vitro to biological systems in vivo. Catalysis is a phenomenon produced by a particular system interacting with the reacting subsystem. The result may be an increment of the chemical rate or sometimes a decreased one. At the bottom, catalytic sources can be characterized as a special kind of surrounding medium effect. The materials involving in catalysis may range from inorganic components as in zeolites, homogenous components, enzymes, catalytic antibodies, and ceramic materials. . With the enormous progress achieved by computing technology, an increasing number of models and phenomenological approaches are being used to describe the effects of a given surrounding medium on the electronic properties of selected subsystem. A number of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been supplemented with a variety of model representations. With the increasing number of methodologies applied to this important field, it is becoming more and more difficult for non-specialist to cope with theoretical developments and extended applications. For this and other reasons, it is was deemed timely to produce a book where methodology and applications were analyzed and reviewed by leading experts in the field. 
650 0 |a Reactivity (Chemistry) 
650 0 |a Solution (Chemistry) 
650 0 |a Solvation. 
650 0 |a Solvents. 
650 7 |a solution.  |2 aat 
650 7 |a solvent.  |2 aat 
650 7 |a Reactivity (Chemistry)  |2 fast 
650 7 |a Solution (Chemistry)  |2 fast 
650 7 |a Solvation  |2 fast 
650 7 |a Solvents  |2 fast 
700 1 |a Tapia, Orlando,  |d 1938-  |1 https://id.oclc.org/worldcat/entity/E39PCjGqHjTb8DXxJhRkKrxkpd 
700 1 |a Bertrán, J.  |q (Juan),  |d 1931-  |1 https://id.oclc.org/worldcat/entity/E39PBJjRXqCT7kTrHqVRMvYXVC 
776 0 8 |i Print version:  |t Solvent effects and chemical reactivity.  |d Dordrecht ; Boston : Kluwer Academic Publishers, ©1996  |w (DLC) 96010935 
830 0 |a Understanding chemical reactivity ;  |v v. 17. 
856 4 0 |u https://ebookcentral.proquest.com/lib/holycrosscollege-ebooks/detail.action?docID=3035822  |y Click for online access 
903 |a EBC-AC 
994 |a 92  |b HCD