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31.10 Ouvrages de la bibliothèque en indexation 31.10 (158)

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Ab initio determination of molecular properties / Alan Hinchliffe (1987)

Titre : Ab initio determination of molecular properties
Type de document : texte imprimé
Auteurs : Alan Hinchliffe, Auteur
Editeur : Bristol : Adam Hilger
Année de publication : 1987
Importance : XI-164 P.
Présentation : Relie. Couv.en coul., graph
Format : 24 cm
ISBN/ISSN/EAN : 978-0-85274-523-6
Langues : Anglais (eng)
Catégories : (31.10) Chimie quantique generale (structure electronique, transitions electroniques et liaison chimique)

Mots-clés : self-consistent field calculations electron correlation calculations
Index. décimale : 31.10
Résumé : 1. the self-consistent field model 2. electron correlation 3. energies 4. geometries and force fields 5. electric multipole moments 6. other one-electron properties 7. electric dipole polarisabilities 8. other response functions 9. spin properties index

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Ab-initio methods in quantum chemistry, Part 1 / K.P. Lawley (1987)

Titre : Ab-initio methods in quantum chemistry, Part 1
Type de document : texte imprimé
Auteurs : K.P. Lawley, Éditeur scientifique
Editeur : London : John Wiley & Sons
Année de publication : 1987
Collection : Advances in chemical physics num. LXVII
Importance : IX-556 p.
Présentation : Relié. Graph.
Format : 23 cm
Langues : Anglais (eng)
Catégories : (31.10) Chimie quantique generale (structure electronique, transitions electroniques et liaison chimique)

Mots-clés : Molecular structure
Index. décimale : 31.10
Résumé : I Excited-state potentials - II Molecular property dirivatives - III Transition structure computations and their analysis - IV Optimization of equilibrium geometries and transition structures - V Relativistic quantum chemistry - Effective hamiltonians and pseudo-operators as tools for rigorous modelling - Molecular calculations with the density functional formalism - the coupled pair approximation

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Ab initio molecular orbital calculations for chemists / W.G. Richards (1970)

Titre : Ab initio molecular orbital calculations for chemists
Type de document : texte imprimé
Auteurs : W.G. Richards, Auteur ; J.A. Horsley, Auteur
Editeur : Oxford : Clarendon Press
Année de publication : 1970
Collection : Oxford Science Research Papers num. 4
Importance : 102 P.
Présentation : Broché.
Format : 23 cm
Langues : Anglais (eng)
Catégories : (31.10) Chimie quantique generale (structure electronique, transitions electroniques et liaison chimique)

Mots-clés : molecular orbitals ab initio calculations
Index. décimale : 31.10

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Ab-initio molecular orbital theory / W.J. Hehre (1986)

Titre : Ab-initio molecular orbital theory
Type de document : texte imprimé
Auteurs : W.J. Hehre, Auteur ; L. Radom, Auteur ; P.v. R. Schleyer, Auteur
Editeur : Chichester : John Wiley & Sons
Année de publication : 1986
Importance : XVIII-548 P.
Présentation : Relié. Graph.
Format : 23 cm
Langues : Anglais (eng)
Catégories : (31.10) Chimie quantique generale (structure electronique, transitions electroniques et liaison chimique)

Mots-clés : Ab initio calculations atoms and molecules Computer modeling and simulation Molecular orbital methods applied to atoms and molecules Molecular physics
Index. décimale : 31.10

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Advances in chemical physics. Vol.II / Ilya Prigogine (1959)

Titre : Advances in chemical physics. Vol.II
Type de document : texte imprimé
Auteurs : Ilya Prigogine, Éditeur scientifique
Editeur : London : John Wiley & Sons
Année de publication : 1959
Collection : Advances in chemical physics num. 2
Importance : IX-412 P.
Présentation : Relié. Graph.
Format : 23 cm
Langues : Anglais (eng)
Catégories : (31.10) Chimie quantique generale (structure electronique, transitions electroniques et liaison chimique)

Mots-clés : radiation chemistry intermolecular potentials and forces solutions gases thermodynamics superlattices nuclear quadrupole resonance crystals theories of many-electron systems correlations statistical models polymerization
Index. décimale : 31.10

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Advances in chemical physics. Vol LXXXIV / Ilya Prigogine (1993)

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Advances in chemical physics. Vol XXXVI / Ilya Prigogine (1977)

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Advances in quantum chemistry. Vol.1 / Per-Olov Löwdin (1964)

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Advances in quantum chemistry. Vol.10 / Per-Olov Löwdin (1977)

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Advances in quantum chemistry. Vol.11 / Per-Olov Löwdin (1978)

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Advances in quantum chemistry. Vol.18 / Per-Olov Löwdin (1986)

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Advances in quantum chemistry. Vol.2 / Per-Olov Löwdin (1965)

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Advances in quantum chemistry. Vol.3 / Per-Olov Löwdin (1967)

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Advances in quantum chemistry. Vol.4 / Per-Olov Löwdin (1968)

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Advances in quantum chemistry. Vol.5 / Per-Olov Löwdin (1970)

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Advances in quantum chemistry. Vol.6 / Per-Olov Löwdin (1972)

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Advances in quantum chemistry. Vol.7 / Per-Olov Löwdin (1973)

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Advances in quantum chemistry. Vol.8 / Per-Olov Löwdin (1974)

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Advances in quantum chemistry. Vol.9 / Per-Olov Löwdin (1975)

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Aspects de la chimie quantique contemporaine / Centre National de la Recherche Scientifique (1971)

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Atomic hypothesis and the concept of molecular structure. Part 1 / Zvonimir B. Maksic (1990)

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Bonding, structure and solid-state chemistry / Mark Ladd (2016)

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Bonds between atoms / A. Holden (1971)

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Chemical bonding / A.L. Companion (1964)

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Chemical calculations / P. Yates (2007)

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Chemical Physics: Electrons and Excitations / Sven Larsson (2012)

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Chimie physique. Vol 1 / Peter William Atkins (1982)

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Chimie physique. Vol. 2 / Peter William Atkins (1982)

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Computational Chemistry / Jeremy Harvey (2018)

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Computational chemistry / Errol G. Lewars (2011)

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Computational chemistry. vol 6 / Jerzy Leszczynski (2001)

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Computational Quantum Chemistry / Ram Yatan Prasad Pranita (2021)

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Concepts and Methods in Modern Theoretical Chemistry. Vol.1 / Swapan Kumar Ghosh (2013)

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Concepts and Methods in Modern Theoretical Chemistry. Vol.2 / Swapan Kumar Ghosh (2013)

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Correlation effects in atoms and molecules / R. Lefebvre (1969)

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Current aspects of quantum chemistry / Ramon Carbo (1982)

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Discovering Chemistry with Natural Bond Orbitals / Frank Weinhold (2012)

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Dynamics of molecules and chemical reactions / Robert E. Wyatt (1996)

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Electron-molecule interactions and their applications. Vol.1 / Loucas Georgiu Christophorou (1984)

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Electronic states of molecules and atom clusters / G. Del Re (1980)

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Electronic Structure Basic Theory and Practical Methods / Richard M. Martin (2020)

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Elementary quantum chemistry / Frank L. Pilar (1968)

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Elements of quantum chemistry / Rudolf Zahradnik (1980)

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Energy structure and reactivity / Darwin W. Smith (1973)

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European Summerschool in quantum chemistry. Book I / Simen Reine (2015)

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European Summerschool in quantum chemistry. Book II / Simen Reine (2015)

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European Summerschool in quantum chemistry. Book III / Simen Reine (2015)

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Exploring Chemistry with Electronic Structure Methods / James B. Foresman

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Fondements théoriques des recherches sur les actions intermoléculaires / Centre National de la Recherche Scientifique (1966)

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Fragmentation / Mark S. Gordon (2017)

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Frontier Orbitals and Organic Chemical Reactions / Ian Fleming (1976)

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Ideas of Quantum Chemistry / Lucjan Piela (2007)

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Ideas of Quantum Chemistry / Lucjan Piela (2014)

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Interatomic potentials / I.M. Torrens (1972)

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Intermolecular forces / Joseph O. Hirschfelder (1967)

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Introduction to chemical physics / John C. Slater (1939)

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Introduction to Relativistic Quantum Chemistry / Kenneth G. Dyall (2007)

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Magnetism and the chemical bond. Vol.1 / J.B. Goodenough (1963)

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Many-Body Methods for Atoms and Molecules / Rajat Kumar Chaudhuri (2017)

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Mathematica computer programs for physical chemistry / William H. Cropper (1998)

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Mathematical Physics in Theoretical Chemistry / S.M. Blinder (2018)

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Modern methods for multidimensional dynamics computations in chemistry / Donald L. Thompson (1998)

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Modern physics / John C. Slater (1955)

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Modern quantum chemistry / Attila Szabo (1996)

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Molecular electronic-structure theory / Trygve Helgaker (2000)

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Molecular electronics / James M. Tour (2003)

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Molecular Orbitals and Organic Chemical Reactions / Ian Fleming (2010)

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Molecular physics / Theodore Buyana (1997)

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Molecular scattering, physical and chemical applications / K.P. Lawley (1975)

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Molecular shapes / Jeremy K. Burdett (1980)

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Molecular spectroscopy, electronic structure and intramolecular interactions. Part 3 / Zvonimir B. Maksic (1991)

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Molecular structure and bonding / Benjamin M. Gimarc (1979)

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Molecular theory of gases and liquids / Joseph O. Hirschfelder (1954)

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Molecular vibrations / Edgar Bright Wilson (1955)

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Molecules in natural science and medicine / Zvonimir B. Maksic (1991)

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Multiconfigurational Quantum Chemistry / Bjorn O. Roos (2016)

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New perpectives in quantum systems in chemistry and physics, Part 1 / John Sabin (2001)

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New perpectives in quantum systems in chemistry and physics, Part 2 / John Sabin (2001)

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Nonadiabatic transition / Hiroki Nakamura (2002)

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Nonadiabatic transition / Hiroki Nakamura (2012)

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Numerical Simulation in Molecular Dynamics / Michael Griebel (2010)

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Photochemistry / Maurizio Persico (2018)

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Physical Chemistry / Andrew Cooksy (2014)

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A pictorail approach to molecular bonding and vibrations / John G. Verkade (1997)

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Potential energy hypersurfaces / Paul G. Mezey (1987)

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Principles and Practices of Molecular Properties / Patrick Norman (2018)

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Quantum chemistry / John P. Lowe (1993)

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Quantum chemistry / John P. Lowe (1978)

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Quantum chemistry / W. Kauzmann (1957)

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Quantum Chemistry / Hinne Hettema (2000)

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Quantum chemistry / Henry F. Schaefer (1984)

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Quantum Chemistry / David B. Cook (2012)

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Quantum Computational Chemistry / Taku Onishi (2018)

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Quantum mechanics in chemistry / M.W. Hanna (1965)

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Quantum mechanics in chemistry / M.W. Hanna (1969)

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Quantum mechanics in chemistry / Jack Simons (1997)

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Quantum mechanics / Roy McWeeny (1973)

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Quantum mechanics / Roy McWeeny (1972)

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Quantum Theory for Chemical Applications / Jochen Autschbach (2020)

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Quantum theory of atomic structure. Vol. I / John C. Slater (1960)

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