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Symmetry and topology in chemical reactivity / (Record no. 49792)

MARC details
000 -LEADER
fixed length control field	05450nam a2200337 a 4500
003 - CONTROL NUMBER IDENTIFIER
control field	WSP
005 - DATE AND TIME OF LATEST TRANSACTION
control field	20260416153417.0
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field	091123s1994 si a sb 001 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number	9789814317160
--	(ebook)
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
Cancelled/invalid ISBN	9810215428
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
Cancelled/invalid ISBN	9789810215422
082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number	541.394
Edition number	22
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name	Schipper, Pieter E.
245 10 - TITLE STATEMENT
Title	Symmetry and topology in chemical reactivity /
Statement of responsibility, etc	Pieter E. Schipper.
260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT)
Place of publication, distribution, etc	Singapore ;
--	River Edge, N.J. :
Name of publisher, distributor, etc	World Scientific Pub. Co.,
Date of publication, distribution, etc	c1994.
300 ## - PHYSICAL DESCRIPTION
Extent	1 online resource (xii, 272 p.) :
Other physical details	ill.
505 0# - FORMATTED CONTENTS NOTE
Contents	1. Chemical reactivity. 1.1. Introduction. 1.2. Geometric and electronic models. 1.3. The reaction model. 1.4. References -- 2. Reaction paths. 2.1. Molecular wave functions. 2.2. Potential energy surfaces (PES). 2.3. Normal coordinates. 2.4. Time dependent structural change. 2.5. Reaction paths: classical considerations. 2.6. Reaction paths: electronic considerations. 2.7. Vibronic integrals. 2.8. References -- 3. Spatial symmetry. 3.1. Introduction. 3.2. The point groups. 3.3. Constraints and projectors. 3.4. Vibronic integrals. 3.5. References -- 4. Structure symmetry. 4.1. Introduction. 4.2. Structure notation. 4.3. Relationships between structures. 4.4. Structure symmetry operations 4.5. Symmetry changes. 4.6. Changes along a reaction path. 4.7. Synchronicity and Q*-models. 4.8. References -- 5. CSR procedure. 5.1. The MX[symbol] rearrangement. 5.2. The double exchange mechanism. 5.3. Stage 1. The conserved group. 5.4. Stage 2. The reaction coordinate. 5.5. Stage 3. The transition state 5.6. Stage 4. Path multiplicity 5.7. Forbidden paths. 5.8. The single exchange mechanism 5.9. Summary. 5.10. References -- 6. CSR applications. 6.1. Introduction. 6.2. Metal-ligand substitution. 6.3. Symmetry lowering: template symmetry. 6.4. A chiral rearrangement. 6.5. Electrocyclic additions. 6.6. Diels-Alder additions. 6.7. Aliphatic substitution. 6.8. References -- 7. Formal electronic control. 7.1. Introduction. 7.2. General orbital theory. 7.3. The natural representation and FC-partitioning. 7.4. The vibronic potential. 7.5. The SGF potential. 7.6. Stability of partitioning. 7.7. Simpler group representations. 7.8. References -- 8. Practical QSR procedure. 8.1. Introduction. 8.2. Theoretical background I. 8.3. QSR stage 1: aliphatic substitution. 8.4. Theoretical background II. 8.5. QSR stage 2(a): aliphatic substitution. 8.6. Theoretical background III. 8.7. QSR stage 2(b): aliphatic substitution. 8.8. QSR stage 3: aliphatic substitution. 8.9. References -- 9. The CPMO potential. 9.1. Introduction. 9.2. Formulation of the CPMO potential. 9.3. Pericyclic additions. 9.4. Butadiene cyclization. 9.5. Large polyenes. 9.6. Photochemical additions. 9.7. Summary. 9.8. References -- 10. Additions. 10.1. Introduction. 10.2. Addition reactions. 10.3. Sigma mediators. 10.4. Direct additions. 10.5. Weakly mediated additions. 10.6. Diels-Alder additions. 10.7. Chiral additions. 10.8. References -- 11. Inorganic rearrangements. 11.1. Introduction. 11.2. The BeH[symbol] inversion. 11.3. The metal-ligand potential. 11.4. Evolution of the metal states. 11.5. Square planar substitution. 11.6. Reference -- 12. Substitutions. 12.1. Introduction. 12.2. Reaction discrimination. 12.3. Aromatic substitution: benzene. 12.4. The QSR analysis: benzene. 12.5. Naphthalene substitution. 12.6. References.
520 ## - SUMMARY, ETC.
Summary, etc	This well-illustrated book develops, using only the ideas of basic quantum chemistry (e.g. perturbation and symmetry theory), a fundamental conceptual and theoretical framework for chemical reactivity. By feeding the role of symmetry and chemical group topology directly into the development, the analysis generates and explains the successful features of simpler reactivity theories (e.g. frontier orbital theory, the isolobal concept, PMO theory, the Woodward-Hoffmann rules), as well as defines their limitations. The unifying construct is that of a group-resolved correlation diagram, which is shown to represent the formal quantization of the electron arrow, replacing the concept of classical point electrons moving between groups with the concept of quantum electron matter waves which evolve with the evolving nuclear and chemical group structure. The use of the concept of chemical groups (functional group system, substituents, solvents) is central to the development, localising the evolutionary electrons within the functional groups and leading to an isolation and analytic definition of substituent and solvent (catalytic) effects as explicit functions of the reaction coordinate. Each archetypical reaction family is represented by fully-worked examples: viz. aliphatic nucleophilic substitution, aromatic electrophilic substitution, inorganic rearrangements, electrocyclic additions, Diels-Alder additions and addition stages in chiral reactions.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element	Reactivity (Chemistry)
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name as entry element	Symmetry (Physics)
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier	<a href="https://www.worldscientific.com/worldscibooks/10.1142/2155#t=toc">https://www.worldscientific.com/worldscibooks/10.1142/2155#t=toc</a>
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Koha item type	Electronic Books
504 ## - BIBLIOGRAPHY, ETC. NOTE
Bibliography, etc	Includes bibliographical references and index.
533 ## - REPRODUCTION NOTE
Type of reproduction	Electronic reproduction.
Place of reproduction	Singapore :
Agency responsible for reproduction	World Scientific Publishing Co.,
Date of reproduction	1994.
Note about reproduction	System requirements: Adobe Acrobat Reader.
--	Mode of access: World Wide Web.
655 #0 - INDEX TERM--GENRE/FORM
Genre/form data or focus term	Electronic books.
710 2# - ADDED ENTRY--CORPORATE NAME
Corporate name or jurisdiction name as entry element	World Scientific (Firm)

Holdings
Withdrawn status	Lost status	Source of classification or shelving scheme	Damaged status	Not for loan	Home library	Location	Date of Cataloging	Total Checkouts	Full call number	Barcode	Date last seen	Uniform Resource Identifier	Price effective from	Koha item type
		Dewey Decimal Classification			CUTN Central Library	CUTN Central Library	16/04/2026		541.394	EB04998	16/04/2026	https://doi.org/10.1142/2155	16/04/2026	Electronic Books