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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)
3556
|
B-H079 |
Texte imprimé |
Bibliothèque |
Livre
|
Disponible |

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)
221
|
B-C043 |
Texte imprimé |
Bibliothèque |
Livre
|
Disponible |

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)
420
|
B-H043 |
Texte imprimé |
Bibliothèque |
Livre
|
Disponible |

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)
408
|
B-H030 |
Texte imprimé |
Bibliothèque |
Livre
|
Disponible |

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)
2592
|
LCC/L |
Texte imprimé |
Equipe |
Livre
|
Equipe - Demande préalable Disponible |

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