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Published by D Reidel Publishing, Dordrecht, 1975
ISBN 10: 9027705593ISBN 13: 9789027705594
Seller: Mike's Library LLC, Plymouth, PA, U.S.A.
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Hardcover. Condition: Near Fine. Dust Jacket Condition: No Dust Jacket. Slight wear. Crisp NEW copy.; "Papers presented during the academic year 73-74 at an international seminar organized by some members of the Centre de mécanique ondulatoire appliquée du C.N.R.S. and some members of the Laboratoire de chimie quantique de l'Institut de biologie physico-chimique." Stand-alone volume 1. Contents: Preface; Part I Statistical Analysis of the Spatial Localizability of Molecular Electrons (4 papers); Part II Separability and Analysis of Wave Functions in Local Elements (7 papers); Part III Expression of the Energy in terms of Local Contributions (6 papers); Part IV Molecules in an Electromagnetic Field, Additive Systematics (5 papers); Conclusions (5 papers); Index of Names; Index of Subjects. ; Localization and Delocalization in Quantum Chemistry; Vol. 1; 362 pages.
Published by Springer, 2011
ISBN 10: 9401014582ISBN 13: 9789401014588
Seller: booksXpress, Bayonne, NJ, U.S.A.
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Soft Cover. Condition: new.
Published by Springer, 2011
ISBN 10: 9401014582ISBN 13: 9789401014588
Seller: Lucky's Textbooks, Dallas, TX, U.S.A.
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Condition: New.
Published by Springer, 2011
ISBN 10: 9401014582ISBN 13: 9789401014588
Seller: Ria Christie Collections, Uxbridge, United Kingdom
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Condition: New. PRINT ON DEMAND Book; New; Fast Shipping from the UK. No. book.
Published by Springer Netherlands Okt 2011, 2011
ISBN 10: 9401014582ISBN 13: 9789401014588
Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
Book Print on Demand
Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The second volume of the proceedings of the international seminar devoted to locali zation and delocalization in quantum chemistry is divided into four parts. The first one is mainly concerned with the localizability of electrons in ionized and exited states. The second part shows how is it possible to take advantage of the localizability of electrons to compute molecular wave-functions. The third part of the book is an homogeneous analysis of the electronic collective excitation and of the motion of excitons in organic solids. The last section is devoted to the study of the role of electron localizability in the chemical reactivity of molecules. Concluding remarks are concerned with a careful analysis of the localizability concept itself in relation with a possible interpretation of the wave-mechanics. PART I ELECTRON LOCALIZATION IN IONIZED AND EXCITED STATES APPLICATIONS OF PAIR DENSITY ANALYSIS R. CONSTANCIEL and L. ESNAULT Centre de Mecanique Ondulatoire Appliquee, Paris, France Abstract. The method of pair density analysis is applied to various kinds of calculations. We examine the influence of the quality of the wavefunction and of the nuclear configuration; the problem of hybridization is discussed, as weIl as the relations between separability and excitation. 488 pp. Englisch.
Published by D.Reidel Publishing Company, 2013
ISBN 10: 9401014582ISBN 13: 9789401014588
Seller: Revaluation Books, Exeter, United Kingdom
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Paperback. Condition: Brand New. 488 pages. 9.61x6.69x1.10 inches. In Stock.
Published by Springer Netherlands, 2011
ISBN 10: 9401014582ISBN 13: 9789401014588
Seller: AHA-BUCH GmbH, Einbeck, Germany
Book
Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - The second volume of the proceedings of the international seminar devoted to locali zation and delocalization in quantum chemistry is divided into four parts. The first one is mainly concerned with the localizability of electrons in ionized and exited states. The second part shows how is it possible to take advantage of the localizability of electrons to compute molecular wave-functions. The third part of the book is an homogeneous analysis of the electronic collective excitation and of the motion of excitons in organic solids. The last section is devoted to the study of the role of electron localizability in the chemical reactivity of molecules. Concluding remarks are concerned with a careful analysis of the localizability concept itself in relation with a possible interpretation of the wave-mechanics. PART I ELECTRON LOCALIZATION IN IONIZED AND EXCITED STATES APPLICATIONS OF PAIR DENSITY ANALYSIS R. CONSTANCIEL and L. ESNAULT Centre de Mecanique Ondulatoire Appliquee, Paris, France Abstract. The method of pair density analysis is applied to various kinds of calculations. We examine the influence of the quality of the wavefunction and of the nuclear configuration; the problem of hybridization is discussed, as weIl as the relations between separability and excitation.
Published by Springer Netherlands, 2011
ISBN 10: 9401014582ISBN 13: 9789401014588
Seller: moluna, Greven, Germany
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Condition: New.
Published by Springer 2011-10, 2011
ISBN 10: 9401014582ISBN 13: 9789401014588
Seller: Chiron Media, Wallingford, United Kingdom
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Published by Springer, 2011
ISBN 10: 9401014582ISBN 13: 9789401014588
Seller: Mispah books, Redhill, SURRE, United Kingdom
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Paperback. Condition: Like New. Like New. book.
Published by Springer, 2011
ISBN 10: 9401017808ISBN 13: 9789401017800
Seller: booksXpress, Bayonne, NJ, U.S.A.
Book
Soft Cover. Condition: new.
Published by Springer, 1975
ISBN 10: 9027705593ISBN 13: 9789027705594
Seller: booksXpress, Bayonne, NJ, U.S.A.
Book
Hardcover. Condition: new.
Published by Springer Netherlands, 2011
ISBN 10: 9401017808ISBN 13: 9789401017800
Seller: AHA-BUCH GmbH, Einbeck, Germany
Book
Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - This book is devoted to a general discussion about localization and delocalization in quantum chemistry. The first volume is concerned with molecules in their ground state. It is made of papers presented during the academic year 73-74 at an international seminar organized by some members of the 'Centre de Mecanique Ondulatoire Appli quee du C.N.R.S.' and some members of the 'Laboratoire de Chimie Quantique de l'Institut de Biologie Physico-Chimique'. It contains also reports of discussions which followed the presentation of invited papers. It is a 'forum' in which each expert gives his opinion on a work in progress. The volume is divided into four parts. The first one is a statistical analysis of the localizability of molecular electrons in the three-dimensional space. It contains an exposition of the basic ideas of the loge theory which provides a framework to do such an analysis. The second part is concerned with the separability of a molecular wave function and its expression in terms of localized elements. An exploration is made of the rela tionship between the localizability of electrons and the possibility of expressing the wave function in terms of localized orbitals. The third part is devoted to the partition of the energy in local contributions.
Published by Springer, 2011
ISBN 10: 9401017808ISBN 13: 9789401017800
Seller: Lucky's Textbooks, Dallas, TX, U.S.A.
Book
Condition: New.
Published by Springer, 2011
ISBN 10: 9401017808ISBN 13: 9789401017800
Seller: Ria Christie Collections, Uxbridge, United Kingdom
Book Print on Demand
Condition: New. PRINT ON DEMAND Book; New; Fast Shipping from the UK. No. book.
Published by Springer, 1975
ISBN 10: 9027705593ISBN 13: 9789027705594
Seller: Ria Christie Collections, Uxbridge, United Kingdom
Book Print on Demand
Condition: New. PRINT ON DEMAND Book; New; Fast Shipping from the UK. No. book.
Published by Springer Netherlands, 1975
ISBN 10: 9027705593ISBN 13: 9789027705594
Seller: moluna, Greven, Germany
Book Print on Demand
Gebunden. Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. I / Statistical Analysis of the Spatial Localizability of Molecular Electrons.- to the Loge Theory.- Discussion of Daudel Contribution.- Comparison of Loge and Virial Methods of Partitioning Molecular Charge Distributions.- Summary of the Discussion of Prof.
Published by Springer Netherlands, 2011
ISBN 10: 9401017808ISBN 13: 9789401017800
Seller: moluna, Greven, Germany
Book Print on Demand
Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. I / Statistical Analysis of the Spatial Localizability of Molecular Electrons.- to the Loge Theory.- Discussion of Daudel Contribution.- Comparison of Loge and Virial Methods of Partitioning Molecular Charge Distributions.- Summary of the Discussion of Prof.
Published by Springer Netherlands Mai 1975, 1975
ISBN 10: 9027705593ISBN 13: 9789027705594
Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
Book Print on Demand
Buch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -This book is devoted to a general discussion about localization and delocalization in quantum chemistry. The first volume is concerned with molecules in their ground state. It is made of papers presented during the academic year 73-74 at an international seminar organized by some members of the 'Centre de Mecanique Ondulatoire Appli quee du C.N.R.S.' and some members of the 'Laboratoire de Chimie Quantique de l'Institut de Biologie Physico-Chimique'. It contains also reports of discussions which followed the presentation of invited papers. It is a 'forum' in which each expert gives his opinion on a work in progress. The volume is divided into four parts. The first one is a statistical analysis of the localizability of molecular electrons in the three-dimensional space. It contains an exposition of the basic ideas of the loge theory which provides a framework to do such an analysis. The second part is concerned with the separability of a molecular wave function and its expression in terms of localized elements. An exploration is made of the rela tionship between the localizability of electrons and the possibility of expressing the wave function in terms of localized orbitals. The third part is devoted to the partition of the energy in local contributions. 376 pp. Englisch.
Published by Springer, 1975
ISBN 10: 9027705593ISBN 13: 9789027705594
Seller: BennettBooksLtd, North Las Vegas, NV, U.S.A.
Book
Condition: New. New. In shrink wrap. Looks like an interesting title! 1.58.
Published by Springer Netherlands, 1975
ISBN 10: 9027705593ISBN 13: 9789027705594
Seller: AHA-BUCH GmbH, Einbeck, Germany
Book
Buch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - This book is devoted to a general discussion about localization and delocalization in quantum chemistry. The first volume is concerned with molecules in their ground state. It is made of papers presented during the academic year 73-74 at an international seminar organized by some members of the 'Centre de Mecanique Ondulatoire Appli quee du C.N.R.S.' and some members of the 'Laboratoire de Chimie Quantique de l'Institut de Biologie Physico-Chimique'. It contains also reports of discussions which followed the presentation of invited papers. It is a 'forum' in which each expert gives his opinion on a work in progress. The volume is divided into four parts. The first one is a statistical analysis of the localizability of molecular electrons in the three-dimensional space. It contains an exposition of the basic ideas of the loge theory which provides a framework to do such an analysis. The second part is concerned with the separability of a molecular wave function and its expression in terms of localized elements. An exploration is made of the rela tionship between the localizability of electrons and the possibility of expressing the wave function in terms of localized orbitals. The third part is devoted to the partition of the energy in local contributions.
Published by D. Reidel Publishing Company, 2013
ISBN 10: 9401017808ISBN 13: 9789401017800
Seller: Revaluation Books, Exeter, United Kingdom
Book
Paperback. Condition: Brand New. 376 pages. 9.25x6.10x0.85 inches. In Stock.
Published by Springer Netherlands Dez 2011, 2011
ISBN 10: 9401017808ISBN 13: 9789401017800
Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
Book Print on Demand
Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -This book is devoted to a general discussion about localization and delocalization in quantum chemistry. The first volume is concerned with molecules in their ground state. It is made of papers presented during the academic year 73-74 at an international seminar organized by some members of the 'Centre de Mecanique Ondulatoire Appli quee du C.N.R.S.' and some members of the 'Laboratoire de Chimie Quantique de l'Institut de Biologie Physico-Chimique'. It contains also reports of discussions which followed the presentation of invited papers. It is a 'forum' in which each expert gives his opinion on a work in progress. The volume is divided into four parts. The first one is a statistical analysis of the localizability of molecular electrons in the three-dimensional space. It contains an exposition of the basic ideas of the loge theory which provides a framework to do such an analysis. The second part is concerned with the separability of a molecular wave function and its expression in terms of localized elements. An exploration is made of the rela tionship between the localizability of electrons and the possibility of expressing the wave function in terms of localized orbitals. The third part is devoted to the partition of the energy in local contributions. 376 pp. Englisch.
Published by Springer, 1976
ISBN 10: 9027706611ISBN 13: 9789027706614
Seller: dsmbooks, Liverpool, United Kingdom
Book
Hardcover. Condition: Good. Good. book.