Atomistique et liaison chimique : cours et exercices corrigés / François Volatron

Public ISBD Titre : Atomistique et liaison chimique : cours et exercices corrigés Type de document : texte imprimé Auteurs : François Volatron, Auteur ; Yves Jean, Auteur Editeur : Paris : Ediscience Année de publication : 1995 Importance : 164 p. ISBN/ISSN/EAN : 978-2-84074-116-9 Langues : Français (fre) Catégories : Chimie théorique Tags : CHEMICAL STRUCTURE-Handbook Index. décimale : B-H Résumé : "Ce livre est destiné aux élèves de première année des Classes Préparatoires aux Grandes Ecoles (filière scientifique). Il recouvre la partie du nouveau programme consacrée à l'étude de la structure électronique des atomes et des molécules. Conformément à l'esprit de ce programme, la structure électronique des atomes et des molécules y est présentée d'une façon qualitative - non mathématique - qui privilégie les concepts de base et les raisonnements. Toutes les notions utiles, même les plus élémentaires, sont introduites progressivement, de façon à donner une cohérence à l'ouvrage et à rendre sa lecture aisée. L'ensemble est illustré de nombreux schémas et figures qui facilitent grandement la compréhension." Cote : B-H055 (SdS) Num_Inv : 1660 Atomistique et liaison chimique : cours et exercices corrigés [texte imprimé] / François Volatron, Auteur ; Yves Jean, Auteur . - Paris : Ediscience, 1995 . - 164 p. ISBN : 978-2-84074-116-9 Langues : Français (fre) Catégories : Chimie théorique Tags : CHEMICAL STRUCTURE-Handbook Index. décimale : B-H Résumé : "Ce livre est destiné aux élèves de première année des Classes Préparatoires aux Grandes Ecoles (filière scientifique). Il recouvre la partie du nouveau programme consacrée à l'étude de la structure électronique des atomes et des molécules. Conformément à l'esprit de ce programme, la structure électronique des atomes et des molécules y est présentée d'une façon qualitative - non mathématique - qui privilégie les concepts de base et les raisonnements. Toutes les notions utiles, même les plus élémentaires, sont introduites progressivement, de façon à donner une cohérence à l'ouvrage et à rendre sa lecture aisée. L'ensemble est illustré de nombreux schémas et figures qui facilitent grandement la compréhension." Cote : B-H055 (SdS) Num_Inv : 1660

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
1660	B-H055	Texte imprimé	Bibliothèque	Périodique	Equipe - Demande préalable Disponible

Atoms in molecules / Paul L. A. Popelier

Public ISBD Titre : Atoms in molecules : an introduction Type de document : texte imprimé Auteurs : Paul L. A. Popelier Editeur : Harlow : Prentice Hall Année de publication : 2000 Importance : xiii, 164 p. Présentation : [2] p. of plates, ill. Format : 24 cm ISBN/ISSN/EAN : 978-0-582-36798-2 Langues : Anglais (eng) Catégories : Chimie théorique Tags : PHYSICAL CHEMISTRY  THEORETICAL CHEMISTRY  CHEMICAL BONDS  MOLECULES-Models Index. décimale : B-H Résumé : "Atoms in Molecules (AIM) is a powerful and novel theory for understanding chemistry, acting as a bridge between fundamental chemical concepts - such as the atom, the bond and molecular structure - and quantum mechanics. It is used increasingly in both theoretical and crystallographic research internationally, including its use in interpreting experimental charge densities. This book provides a balanced, consistent and didactic account of this exciting theory, explaining its potential impact and making it accessible to a wide audience." Cote : B-H067 (SdS) Num_Inv : 3022 Atoms in molecules : an introduction [texte imprimé] / Paul L. A. Popelier . - Harlow : Prentice Hall, 2000 . - xiii, 164 p. : [2] p. of plates, ill. ; 24 cm. ISBN : 978-0-582-36798-2 Langues : Anglais (eng) Catégories : Chimie théorique Tags : PHYSICAL CHEMISTRY  THEORETICAL CHEMISTRY  CHEMICAL BONDS  MOLECULES-Models Index. décimale : B-H Résumé : "Atoms in Molecules (AIM) is a powerful and novel theory for understanding chemistry, acting as a bridge between fundamental chemical concepts - such as the atom, the bond and molecular structure - and quantum mechanics. It is used increasingly in both theoretical and crystallographic research internationally, including its use in interpreting experimental charge densities. This book provides a balanced, consistent and didactic account of this exciting theory, explaining its potential impact and making it accessible to a wide audience." Cote : B-H067 (SdS) Num_Inv : 3022

Exemplaires(3)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
3022	B-H067	Texte imprimé	Bibliothèque	Livre	Disponible
2417	LCC/A	Texte imprimé	Equipe	Livre	Disponible
2624	LCC/P	Texte imprimé	Equipe	Livre	Equipe - Demande préalable Disponible

Atoms in molecules: A quantum theory / Richard F. W. Bader

Public ISBD Titre : Atoms in molecules: A quantum theory Type de document : texte imprimé Auteurs : Richard F. W. Bader Editeur : Oxford : Oxford University Press Année de publication : 1990 Collection : The International Series of Monographs on Chemistry num. 22 Importance : 438 p. ISBN/ISSN/EAN : 978-0-19-855865-1 Langues : Anglais (eng) Catégories : Chimie théorique Tags : QUANTUM CHEMISTRY Index. décimale : B-H Résumé : "The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observations of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It isthe purpose of this important book - now available in paperback for the first time - to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties ofmatter at the atomic level, in the belief that the transformation of qualitative concepts into a qualitative theory will serve to deepen our understanding of chemistry." Cote : B-H058 (SdS) Num_Inv : 3008 Atoms in molecules: A quantum theory [texte imprimé] / Richard F. W. Bader . - Oxford : Oxford University Press, 1990 . - 438 p.. - (The International Series of Monographs on Chemistry; 22) . ISBN : 978-0-19-855865-1 Langues : Anglais (eng) Catégories : Chimie théorique Tags : QUANTUM CHEMISTRY Index. décimale : B-H Résumé : "The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observations of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It isthe purpose of this important book - now available in paperback for the first time - to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties ofmatter at the atomic level, in the belief that the transformation of qualitative concepts into a qualitative theory will serve to deepen our understanding of chemistry." Cote : B-H058 (SdS) Num_Inv : 3008

Exemplaires(2)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
2451	B-H058	Texte imprimé	Bibliothèque	Livre	Disponible
3008	B-H067	Texte imprimé	Bibliothèque	Livre	Disponible

Atoms, molecules and photons / Wolfgang Demtroder

Public ISBD Titre : Atoms, molecules and photons : an introduction to atomic-, molecular-, and quantum-physics Type de document : texte imprimé Auteurs : Wolfgang Demtroder Mention d'édition : Second edition Editeur : Berlin : Springer Année de publication : 2010 Collection : Graduate Texts in Physics, ISSN 1868-4513 Importance : xv, 571 p. Présentation : ill. en noir et en coul. Format : 25 cm ISBN/ISSN/EAN : 978-3-642-10297-4 Langues : Anglais (eng) Catégories : Chimie théorique Tags : NUCLEAR PHYSICS  NUCLEAR PHYSICS-Problems, Exercises  MOLECULES Index. décimale : B-H Résumé : "This introduction to Atomic and Molecular Physics explains how our present model of atoms and molecules has been developed over the last two centuries both by many experimental discoveries and, from the theoretical side, by the introduction of quantum physics to the adequate description of micro-particles. It illustrates the wave model of particles by many examples and shows the limits of classical description. The interaction of electromagnetic radiation with atoms and molecules and its potential for spectroscopy is outlined in more detail and in particular lasers as modern spectroscopic tools are discussed more thoroughly. Many examples and problems with solutions are offered to encourage readers to actively engage in applying and adapting the fundamental physics presented in this textbook to specific situations. Completely revised new edition with new sections covering all actual developments, like x-ray optics, ion-cyclotron-resonance spectrometer, attosecond lasers, ultraprecission frequency measurement and atomic interferometry." Cote : B-H068 (SdS) Num_Inv : 3165 Atoms, molecules and photons : an introduction to atomic-, molecular-, and quantum-physics [texte imprimé] / Wolfgang Demtroder  . -  Second edition . - Berlin : Springer, 2010 . - xv, 571 p. : ill. en noir et en coul. ; 25 cm. - (Graduate Texts in Physics, ISSN 1868-4513) . ISBN : 978-3-642-10297-4 Langues : Anglais (eng) Catégories : Chimie théorique Tags : NUCLEAR PHYSICS  NUCLEAR PHYSICS-Problems, Exercises  MOLECULES Index. décimale : B-H Résumé : "This introduction to Atomic and Molecular Physics explains how our present model of atoms and molecules has been developed over the last two centuries both by many experimental discoveries and, from the theoretical side, by the introduction of quantum physics to the adequate description of micro-particles. It illustrates the wave model of particles by many examples and shows the limits of classical description. The interaction of electromagnetic radiation with atoms and molecules and its potential for spectroscopy is outlined in more detail and in particular lasers as modern spectroscopic tools are discussed more thoroughly. Many examples and problems with solutions are offered to encourage readers to actively engage in applying and adapting the fundamental physics presented in this textbook to specific situations. Completely revised new edition with new sections covering all actual developments, like x-ray optics, ion-cyclotron-resonance spectrometer, attosecond lasers, ultraprecission frequency measurement and atomic interferometry." Cote : B-H068 (SdS) Num_Inv : 3165

Exemplaires(2)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
3165	B-H068	Texte imprimé	Bibliothèque	Livre	Disponible
3164	LCC/B	Texte imprimé	Equipe	Livre	Equipe - Demande préalable Disponible

Challenges and Advances in Computational Chemistry and Physics. Vol.22 : Applications of topological methods in molecular chemistry / Remi Chauvin

Public ISBD Titre de série : Challenges and Advances in Computational Chemistry and Physics Titre : Vol.22 : Applications of topological methods in molecular chemistry Type de document : texte imprimé Auteurs : Remi Chauvin, Éditeur scientifique ; Christine Lepetit, Éditeur scientifique ; Bernard Silvi, Éditeur scientifique ; Esmail Alikhani, Éditeur scientifique Editeur : Cham, Heidelberg : Springer Année de publication : 2016 Collection : Challenges and Advances in Computational Chemistry and Physics num. 22 Importance : ix, 586 p. ISBN/ISSN/EAN : 978-3-319-29020-1 Langues : Anglais (eng) Catégories : Chimie théorique Tags : QUANTUM CHEMISTRY  HU?CKEL MOLECULAR ORBITALS Index. décimale : B-H Note de contenu : "* Topological approaches of the bonding in conceptual chemistry Part I Topological methods: Definition, state of the art and prospects * On quantum chemical topology ; * Localization-delocalization matrices and electron density-weighted adjacency/connectivity matrices: A bridge between the quantum theory of atoms in molecules and chemical graph theory ; * Extending the topological analysis and seeking the real-space subsystems in non-coulombic systems with homogeneous potential energy functions ; * Exploring chemistry through the source function for the electron and the electron spin densities ; * Emergent scalar and vector fields in quantum chemical topology ; * Topology of quantum mechanical current density vector fields induced in a molecule by static magnetic perturbations ; * Topological analysis of the Fukui function ; * Topological tools for the study of families of reaction mechanisms: The fundamental groups of potential surfaces in the universal molecule context ; * Quantum chemical topology approach for dissecting chemical structure and reactivity. Part II Topological methods for the characterization of ?-electron delocalization and aromaticity * Paradise Lost- ?-electron conjugation in homologs and derivatives of perylene ; * Rules of aromaticity ; * Localized structures at the Hückel level, a Hückel-derived valence bond method ; * Magnetic properties of conjugated hydrocarbons from topological Hamiltonians. Part III Topological methods for the characterization of weak bonding interactions * What can be learnt from a location of bond paths and from electron density distribution ; * Following halogen bonds formation with Bader’s atoms-in-molecules theory ; * Charge transfer in beryllium bonds and cooperativity of beryllium and halogen bonds. A new perspective ; * A complete NCI perspective: From new bonds to reactivity ; * Diversity of the nature of the nitrogen-oxygen bond in inorganic and organic nitrites in the light of topological analysis of Electron Localisation Function (ELF) ; * Quantum chemical topology in the field of quasirelativistic quantum calculations." Cote : B-H076 (SdS) Num_Inv : 3460 Challenges and Advances in Computational Chemistry and Physics. Vol.22 : Applications of topological methods in molecular chemistry [texte imprimé] / Remi Chauvin, Éditeur scientifique ; Christine Lepetit, Éditeur scientifique ; Bernard Silvi, Éditeur scientifique ; Esmail Alikhani, Éditeur scientifique . - Cham, Heidelberg : Springer, 2016 . - ix, 586 p.. - (Challenges and Advances in Computational Chemistry and Physics; 22) . ISBN : 978-3-319-29020-1 Langues : Anglais (eng) Catégories : Chimie théorique Tags : QUANTUM CHEMISTRY  HU?CKEL MOLECULAR ORBITALS Index. décimale : B-H Note de contenu : "* Topological approaches of the bonding in conceptual chemistry Part I Topological methods: Definition, state of the art and prospects * On quantum chemical topology ; * Localization-delocalization matrices and electron density-weighted adjacency/connectivity matrices: A bridge between the quantum theory of atoms in molecules and chemical graph theory ; * Extending the topological analysis and seeking the real-space subsystems in non-coulombic systems with homogeneous potential energy functions ; * Exploring chemistry through the source function for the electron and the electron spin densities ; * Emergent scalar and vector fields in quantum chemical topology ; * Topology of quantum mechanical current density vector fields induced in a molecule by static magnetic perturbations ; * Topological analysis of the Fukui function ; * Topological tools for the study of families of reaction mechanisms: The fundamental groups of potential surfaces in the universal molecule context ; * Quantum chemical topology approach for dissecting chemical structure and reactivity. Part II Topological methods for the characterization of ?-electron delocalization and aromaticity * Paradise Lost- ?-electron conjugation in homologs and derivatives of perylene ; * Rules of aromaticity ; * Localized structures at the Hückel level, a Hückel-derived valence bond method ; * Magnetic properties of conjugated hydrocarbons from topological Hamiltonians. Part III Topological methods for the characterization of weak bonding interactions * What can be learnt from a location of bond paths and from electron density distribution ; * Following halogen bonds formation with Bader’s atoms-in-molecules theory ; * Charge transfer in beryllium bonds and cooperativity of beryllium and halogen bonds. A new perspective ; * A complete NCI perspective: From new bonds to reactivity ; * Diversity of the nature of the nitrogen-oxygen bond in inorganic and organic nitrites in the light of topological analysis of Electron Localisation Function (ELF) ; * Quantum chemical topology in the field of quasirelativistic quantum calculations." Cote : B-H076 (SdS) Num_Inv : 3460

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
3460	B-H076	Texte imprimé	Bibliothèque	Livre	Disponible

Chemical bonding and molecular geometry / Ronald J. Gillespie

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Chimie organique : une approche orbitalaire / Patrick Chaquin

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Computional methods in organometallic catalysis / Lan, Yu

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Density functional theory: A practical introduction / David S. Sholl

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Dielectric behavior and structure : dielectric constant and loss, dipole moment and molecular structure / Charles Phelps Smyth

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Discovering chemistry with natural bond orbitals / Frank Weinhold

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Electronic spectra of transition metal complexes: An introductory text / Derek Sutton

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Electrons in molecules / Jean-Pierre Launay

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Electrons in molecules / Jean-Pierre Launay

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

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Foundations of quantum chemistry / Thomas E. Peacock

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Fundamentals of time-dependent density functional theory / Miguel A.L. Marques

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Group theory in solid-state physics / Arthur P. Cracknell

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Introduction to ligand fields / Brian N. Figgis

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Introduction to magnetochemistry / Alan Earnshaw

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Mathematical physics in theoretical chemistry / House, James E.

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Molecular complexes: A lecture and reprint volume / Robert S. Mulliken

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Molecular orbital theory for organic chemists / Andrew Streitwieser

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Orbital interactions in chemistry / Thomas A. Albright

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Les orbitales moléculaires en chimie : introduction et applications / Jean Yves

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Proceedings of the seventh Conference on Magnetism and magnetic materials / John A. Osborn

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Quantum chemistry. Vol. 1 : Quantum mechanics and molecular electronic structure / Ira N. Levine

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Quantum mechanical models of metal surfaces and nanoparticles / Gräfe, Wolfgang

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Les règles de Woodward-Hoffmann / Trong Anh Nguyen

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Supramolecular Chemistry : Concepts and Perspectives / Jean-Marie Lehn

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The chemical bond, volume 1: Fundamental apsects and chemical bonding / Gernot Frenking

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The chemical bond, volume 2: Chemical bonding across the periodic table / Gernot Frenking

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The conservation of orbital symmetry / Robert B. Woodward

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Time-dependent density-functional theory / Carsten Ullrich

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Topics in stereochemistry, Volume 3 / Norman L. Allinger

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Topics in stereochemistry, Volume 4 / Norman L. Allinger

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Valence theory / John N. Murrell

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