26 recherche sur le tag 'chemistry-physical and theoretical'   

Mathematical physics in theoretical chemistry / House, James E.

Public ISBD Titre : Mathematical physics in theoretical chemistry Type de document : texte imprimé Auteurs : House, James E., Éditeur scientifique ; Blinder, S. M., Éditeur scientifique Editeur : Amsterdam : Elsevier Science Année de publication : 2019 Importance : xv, 408 p. ISBN/ISSN/EAN : 978-0-12-813651-5 Langues : Anglais (eng) Catégories : Chimie théorique Tags : CHEMISTRY-PHYSICAL AND THEORETICAL  CHEMISTRY-MATHEMATICS Index. décimale : B-H Résumé : Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. Note de contenu : "* The Hartree-Fock Approximation * Slater and Gaussian Basis Functions and Computation of Molecular Integrals * Post Hartree-Fock Methods: Configuration Interaction, Many-Body Perturbation Theory, Couple-Cluster Theory * Density-Functional Methods * Vibrational Energies and Partition Functions * Quantum Monte-Carlo * Computational Chemistry on Personal Computers * Chemical Applications of Graph Theory * Singularity Analysis in Quantum Chemistry * Diagrammatic Methods in Quantum Chemistry * Quantum Chemistry on a Quantum Computer Cote : B-H079 Num_Inv : 3556 Localisation : LCC (SdS) Mathematical physics in theoretical chemistry [texte imprimé] / House, James E., Éditeur scientifique ; Blinder, S. M., Éditeur scientifique . - Amsterdam : Elsevier Science, 2019 . - xv, 408 p. ISBN : 978-0-12-813651-5 Langues : Anglais (eng) Catégories : Chimie théorique Tags : CHEMISTRY-PHYSICAL AND THEORETICAL  CHEMISTRY-MATHEMATICS Index. décimale : B-H Résumé : Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. Note de contenu : "* The Hartree-Fock Approximation * Slater and Gaussian Basis Functions and Computation of Molecular Integrals * Post Hartree-Fock Methods: Configuration Interaction, Many-Body Perturbation Theory, Couple-Cluster Theory * Density-Functional Methods * Vibrational Energies and Partition Functions * Quantum Monte-Carlo * Computational Chemistry on Personal Computers * Chemical Applications of Graph Theory * Singularity Analysis in Quantum Chemistry * Diagrammatic Methods in Quantum Chemistry * Quantum Chemistry on a Quantum Computer Cote : B-H079 Num_Inv : 3556 Localisation : LCC (SdS)

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
3556	B-H079	Texte imprimé	Bibliothèque	Livre	Disponible

Advances in physical organic chemistry. Vol. 3 / V. Gold

Public ISBD Titre : Advances in physical organic chemistry. Vol. 3 Type de document : texte imprimé Auteurs : V. Gold, Éditeur scientifique Mention d'édition : 1rst Editeur : London : Academic Press Année de publication : 1965 Collection : Advances in physical organic chemistry num. 3 Importance : vii, 280 p. ISBN/ISSN/EAN : 978-0-12-033503-9 Langues : Anglais (eng) Catégories : Chimie organique Tags : ORGANIC CHEMISTRY  CHEMISTRY-Physical and Theoretical Résumé : "Advances in Physical Organic Chemistry series is the definitive resource for authoritative reviews of work in physical organic chemistry. It aims to provide a valuable source of information not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Its hallmark is a quantitative, molecular level understanding of phenomena across a diverse range of disciplines." Note de contenu : “Molecular refractivity and polarizability * Gas-phase heterolysis * Oxygen isotope exchange reactions of organic compounds * N.M.R. measurements of reaction velocities and equilibrium constants as a function of temperature.” Cote : B-C043 (SdS) Num_Inv : 221 Advances in physical organic chemistry. Vol. 3 [texte imprimé] / V. Gold, Éditeur scientifique  . -  1rst . - London : Academic Press, 1965 . - vii, 280 p.. - (Advances in physical organic chemistry; 3) . ISBN : 978-0-12-033503-9 Langues : Anglais (eng) Catégories : Chimie organique Tags : ORGANIC CHEMISTRY  CHEMISTRY-Physical and Theoretical Résumé : "Advances in Physical Organic Chemistry series is the definitive resource for authoritative reviews of work in physical organic chemistry. It aims to provide a valuable source of information not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Its hallmark is a quantitative, molecular level understanding of phenomena across a diverse range of disciplines." Note de contenu : “Molecular refractivity and polarizability * Gas-phase heterolysis * Oxygen isotope exchange reactions of organic compounds * N.M.R. measurements of reaction velocities and equilibrium constants as a function of temperature.” Cote : B-C043 (SdS) Num_Inv : 221

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
221	B-C043	Texte imprimé	Bibliothèque	Livre	Disponible

Energy, structure and reactivity: Proceedings / Boulder Summer Research Conference on Theoretical Chemistry (1972: Boulder, Co.)

Public ISBD Titre : Energy, structure and reactivity: Proceedings Type de document : texte imprimé Auteurs : Boulder Summer Research Conference on Theoretical Chemistry (1972: Boulder, Co.) ; Darwin W. Smith, Éditeur scientifique ; Walter B. McRae, Éditeur scientifique Editeur : New York : Wiley Année de publication : 1973 Importance : 399 p. Format : 24 cm ISBN/ISSN/EAN : 978-0-471-80140-5 Langues : Anglais (eng) Catégories : Chimie théorique Tags : CHEMISTRY-Physical and Theoretical  QUANTUM CHEMISTRY Index. décimale : B-H Note de contenu : "The book is divided into ten sections representing current areas of fundamental research in theoretical chemistry. Theses sections are: * Atomic and molecular processes ; scattering * Theoretical models for chemistry * Semi classical quantum mechanisms and statistical exchange * Electron correlation ; Ab initio methods * Density matrices * Discussion: The status of many-­body methods in chemistry * Atom-atom interactions * Excited states and electron binding energies * Large molecules: Ab initio techniques * Discussion: The status of large molecule quantum chemistry." Cote : B-H043 (SdS) Num_Inv : 420 Energy, structure and reactivity: Proceedings [texte imprimé] / Boulder Summer Research Conference on Theoretical Chemistry (1972: Boulder, Co.) ; Darwin W. Smith, Éditeur scientifique ; Walter B. McRae, Éditeur scientifique . - New York : Wiley, 1973 . - 399 p. ; 24 cm. ISBN : 978-0-471-80140-5 Langues : Anglais (eng) Catégories : Chimie théorique Tags : CHEMISTRY-Physical and Theoretical  QUANTUM CHEMISTRY Index. décimale : B-H Note de contenu : "The book is divided into ten sections representing current areas of fundamental research in theoretical chemistry. Theses sections are: * Atomic and molecular processes ; scattering * Theoretical models for chemistry * Semi classical quantum mechanisms and statistical exchange * Electron correlation ; Ab initio methods * Density matrices * Discussion: The status of many-­body methods in chemistry * Atom-atom interactions * Excited states and electron binding energies * Large molecules: Ab initio techniques * Discussion: The status of large molecule quantum chemistry." Cote : B-H043 (SdS) Num_Inv : 420

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
420	B-H043	Texte imprimé	Bibliothèque	Livre	Disponible

Theoretical organic chemistry / International union of pure and applied chemistry

Public ISBD Titre : Theoretical organic chemistry : Proceedings and discussions of the Kekulé Symposium London, September 15-17,1958 Type de document : texte imprimé Auteurs : International union of pure and applied chemistry, Éditeur scientifique Editeur : London : Butterworths Année de publication : 1959 Importance : xvii, 298 Langues : Anglais (eng) Catégories : Chimie théorique Tags : CHEMISTRY-Physical and Theoretical Résumé : "A symposium on Theoretical Organic Chemistry was held in London during September 15-17, 1958, in celebration of the centenary of the discovery by Kekulé of the quadrivalency of carbon. Organized by the Chemical Society on behalf of the Organic Chemistry section of the International union of Pure and Applied Chemistry, the meetings were devoted to invited lectures and papers on chemical bonding and structure, nucleophilic reactions, and electrophilic and homolytic reactions. The proceedings are here published in full; 19 papers which will provide an invaluable and simulating source of new data for all concerned with structure and reactions in organic chemistry." Cote : B-H030 (SdS) Num_Inv : 408 Theoretical organic chemistry : Proceedings and discussions of the Kekulé Symposium London, September 15-17,1958 [texte imprimé] / International union of pure and applied chemistry, Éditeur scientifique . - London : Butterworths, 1959 . - xvii, 298. Langues : Anglais (eng) Catégories : Chimie théorique Tags : CHEMISTRY-Physical and Theoretical Résumé : "A symposium on Theoretical Organic Chemistry was held in London during September 15-17, 1958, in celebration of the centenary of the discovery by Kekulé of the quadrivalency of carbon. Organized by the Chemical Society on behalf of the Organic Chemistry section of the International union of Pure and Applied Chemistry, the meetings were devoted to invited lectures and papers on chemical bonding and structure, nucleophilic reactions, and electrophilic and homolytic reactions. The proceedings are here published in full; 19 papers which will provide an invaluable and simulating source of new data for all concerned with structure and reactions in organic chemistry." Cote : B-H030 (SdS) Num_Inv : 408

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
408	B-H030	Texte imprimé	Bibliothèque	Livre	Disponible

Atkins' physical chemistry / Peter W. Atkins

Public ISBD Titre : Atkins' physical chemistry Type de document : texte imprimé Auteurs : Peter W. Atkins ; Julio de Paula Mention d'édition : Seventh edition Editeur : Oxford : Oxford University Press Année de publication : 2002 Importance : xxi, 1149 p ISBN/ISSN/EAN : 978-0-19-879285-7 Langues : Anglais (eng) Tags : CHEMISTRY-Physical and Theoretical Index. décimale : EQ -Equipe- Résumé : "This major revision of the world's leading textbook of physical chemistry has maintained its tradition of accessibility but authority and has brought it thoroughly up to date. The new author team has introduced many innovations. There are new or rewritten chapters on the solid state, on molecular interactions, macromolecules, and electron transfer. Almost every chapter has at least one Box showing the relevance of the material to modern chemistry. All the chapters now conclude with a check list which includes definitions and key equations. The authors have paid special attention to the presentation of mathematical derivations and to the physical interpretation of equations. They have also ensured that the text is highly modular, so that it can be used in different sequences, either atoms first or thermodynamics first. The art program has been redrawn and extended, new Discussion questions have been added, and the Further Information sections have been recast to provide the necessary background in mathematics and physics." Cote : LCC/L Num_Inv : 2592 Atkins' physical chemistry [texte imprimé] / Peter W. Atkins ; Julio de Paula  . -  Seventh edition . - Oxford : Oxford University Press, 2002 . - xxi, 1149 p. ISBN : 978-0-19-879285-7 Langues : Anglais (eng) Tags : CHEMISTRY-Physical and Theoretical Index. décimale : EQ -Equipe- Résumé : "This major revision of the world's leading textbook of physical chemistry has maintained its tradition of accessibility but authority and has brought it thoroughly up to date. The new author team has introduced many innovations. There are new or rewritten chapters on the solid state, on molecular interactions, macromolecules, and electron transfer. Almost every chapter has at least one Box showing the relevance of the material to modern chemistry. All the chapters now conclude with a check list which includes definitions and key equations. The authors have paid special attention to the presentation of mathematical derivations and to the physical interpretation of equations. They have also ensured that the text is highly modular, so that it can be used in different sequences, either atoms first or thermodynamics first. The art program has been redrawn and extended, new Discussion questions have been added, and the Further Information sections have been recast to provide the necessary background in mathematics and physics." Cote : LCC/L Num_Inv : 2592

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
2592	LCC/L	Texte imprimé	Equipe	Livre	Equipe - Demande préalable Disponible

Methods in physical chemistry. Vol. 1 / Rolf Schafer

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Methods in physical chemistry. Vol. 2 / Rolf Schafer

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Inorganic reaction mechanisms : Vol.3 / J. Burgess

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Physical methods for chemists / Russel S Drago

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Foundations of quantum chemistry / Thomas E. Peacock

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