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Intermolecular and surface forces / / Jacob N. Israelachvili
| Intermolecular and surface forces / / Jacob N. Israelachvili |
| Autore | Israelachvili Jacob N. |
| Edizione | [3rd ed.] |
| Pubbl/distr/stampa | Burlington, Massachusetts : , : Academic Press, , 2011 |
| Descrizione fisica | 1 online resource (706 p.) |
| Disciplina | 541/.226 |
| Soggetto topico |
Intermolecular forces
Surface chemistry |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-282-88675-4
9786612886751 0-08-092363-1 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; IFC; Intermolecular and Surface Forces; Copyright; Contents; Preface to the Third Edition; Preface to Second Edition; Preface to the First Edition; Units, Symbols, Useful Quantities and Relations; Definitions and Glossary; PART I -The Forces between Atoms and Molecules; Chapter 1 Historical Perspective; 1.1 The Four Forces of Nature; 1.2 Greek and Medieval Notions of Intermolecular Forces; 1.3 The Seventeenth Century: First Scientific Period; 1.4 The Eighteenth Century: Confusion, Contradictions, and Controversy; 1.5 The Nineteenth Century: Continuum versus Molecular Theories
1.6 Intermolecular Force-Laws and Interaction Potentials: Long- and Short-Range Forces1.7 First Successful Phenomenological Theories; 1.8 First Estimates of Molecular Sizes; 1.9 The Twentieth Century: Understanding Simple Systems; 1.10 Recent Trends; Problems and Discussion Topics; Chapter 2 Thermodynamic and Statistical Aspects of Intermolecular Forces; 2.1 The Interaction of Molecules in Free Space and in a Medium; 2.2 Self-Energy and Pair Potential; 2.3 The Boltzmann Distribution and the Chemical Potential; 2.4 The Distribution of Molecules and Particles in Systems at Equilibrium 2.5 The Van der Waals Equation of State (EOS)2.6 The Criterion of the Thermal Energy kT for Gauging the Strength of an Interaction; 2.7 Classification of Forces and Pair Potentials; 2.8 Theoretical Analyses of Multimolecular Systems: Continuum and Molecular Approaches; 2.9 Molecular Approaches via Computer Simulations: Monte Carlo (MC) and Molecular Dynamics (MD); 2.10 Newton's Laws Applied to Two-Body Collisions; 2.11 Kinetic and Statistical Aspects of Multiple Collisions: the Boltzmann Distribution; Problems and Discussion Topics Chapter 3 Strong Intermolecular Forces: Covalent and Coulomb Interactions3.1 Covalent or Chemical Bonding Forces; 3.2 Physical and Chemical Bonds; 3.3 Coulomb Forces or Charge-Charge Interactions, Gauss's Law; 3.4 Ionic Crystals; 3.5 Reference States; 3.6 Range of Electrostatic Forces; 3.7 The Born Energy of an Ion; 3.8 Solubility of Ions in Different Solvents; 3.9 Specific Ion-Solvent Effects: Continuum Approach; 3.10 Molecular Approach: Computer Simulations and Integral Equations of Many-Body Systems; Problems and Discussion Topics; Chapter 4 Interactions Involving Polar Molecules 4.1 What Are Polar Molecules?4.2 Dipole Self-Energy; 4.3 Ion-Dipole Interactions; 4.4 Ions in Polar Solvents; 4.5 Strong Ion-Dipole Interactions in Water: Hydrated Ions; 4.6 Solvation Forces, Structural Forces, and Hydration Forces; 4.7 Dipole-Dipole Interactions; 4.8 Magnetic Dipoles; 4.9 Hydrogen Bonds; 4.10 Rotating Dipoles and Angle-Averaged Potentials; 4.11 Entropic Effects; Problems and Discussion Topics; Chapter 5 Interactions Involving the Polarization of Molecules; 5.1 The Polarizability of Atoms and Molecules; 5.2 The Polarizability of Polar Molecules 5.3 Other Polarization Mechanisms and the Effects of Polarization on Electrostatic Interactions |
| Record Nr. | UNINA-9910459404603321 |
Israelachvili Jacob N.
|
||
| Burlington, Massachusetts : , : Academic Press, , 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Intermolecular and surface forces / / Jacob N. Israelachvili, University of California, Santa Barbara, California, USA
| Intermolecular and surface forces / / Jacob N. Israelachvili, University of California, Santa Barbara, California, USA |
| Autore | Israelachvili Jacob N. |
| Edizione | [3rd ed.] |
| Pubbl/distr/stampa | Burlington, MA : , : Academic Press, , 2011 |
| Descrizione fisica | 1 online resource (xxx, 674 pages) : illustrations (some color) |
| Disciplina | 541/.226 |
| Collana | Gale eBooks |
| Soggetto topico |
Intermolecular forces
Surface chemistry |
| ISBN |
1-282-88675-4
9786612886751 0-08-092363-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; IFC; Intermolecular and Surface Forces; Copyright; Contents; Preface to the Third Edition; Preface to Second Edition; Preface to the First Edition; Units, Symbols, Useful Quantities and Relations; Definitions and Glossary; PART I -The Forces between Atoms and Molecules; Chapter 1 Historical Perspective; 1.1 The Four Forces of Nature; 1.2 Greek and Medieval Notions of Intermolecular Forces; 1.3 The Seventeenth Century: First Scientific Period; 1.4 The Eighteenth Century: Confusion, Contradictions, and Controversy; 1.5 The Nineteenth Century: Continuum versus Molecular Theories
1.6 Intermolecular Force-Laws and Interaction Potentials: Long- and Short-Range Forces1.7 First Successful Phenomenological Theories; 1.8 First Estimates of Molecular Sizes; 1.9 The Twentieth Century: Understanding Simple Systems; 1.10 Recent Trends; Problems and Discussion Topics; Chapter 2 Thermodynamic and Statistical Aspects of Intermolecular Forces; 2.1 The Interaction of Molecules in Free Space and in a Medium; 2.2 Self-Energy and Pair Potential; 2.3 The Boltzmann Distribution and the Chemical Potential; 2.4 The Distribution of Molecules and Particles in Systems at Equilibrium 2.5 The Van der Waals Equation of State (EOS)2.6 The Criterion of the Thermal Energy kT for Gauging the Strength of an Interaction; 2.7 Classification of Forces and Pair Potentials; 2.8 Theoretical Analyses of Multimolecular Systems: Continuum and Molecular Approaches; 2.9 Molecular Approaches via Computer Simulations: Monte Carlo (MC) and Molecular Dynamics (MD); 2.10 Newton's Laws Applied to Two-Body Collisions; 2.11 Kinetic and Statistical Aspects of Multiple Collisions: the Boltzmann Distribution; Problems and Discussion Topics Chapter 3 Strong Intermolecular Forces: Covalent and Coulomb Interactions3.1 Covalent or Chemical Bonding Forces; 3.2 Physical and Chemical Bonds; 3.3 Coulomb Forces or Charge-Charge Interactions, Gauss's Law; 3.4 Ionic Crystals; 3.5 Reference States; 3.6 Range of Electrostatic Forces; 3.7 The Born Energy of an Ion; 3.8 Solubility of Ions in Different Solvents; 3.9 Specific Ion-Solvent Effects: Continuum Approach; 3.10 Molecular Approach: Computer Simulations and Integral Equations of Many-Body Systems; Problems and Discussion Topics; Chapter 4 Interactions Involving Polar Molecules 4.1 What Are Polar Molecules?4.2 Dipole Self-Energy; 4.3 Ion-Dipole Interactions; 4.4 Ions in Polar Solvents; 4.5 Strong Ion-Dipole Interactions in Water: Hydrated Ions; 4.6 Solvation Forces, Structural Forces, and Hydration Forces; 4.7 Dipole-Dipole Interactions; 4.8 Magnetic Dipoles; 4.9 Hydrogen Bonds; 4.10 Rotating Dipoles and Angle-Averaged Potentials; 4.11 Entropic Effects; Problems and Discussion Topics; Chapter 5 Interactions Involving the Polarization of Molecules; 5.1 The Polarizability of Atoms and Molecules; 5.2 The Polarizability of Polar Molecules 5.3 Other Polarization Mechanisms and the Effects of Polarization on Electrostatic Interactions |
| Record Nr. | UNINA-9910785219203321 |
|
Israelachvili Jacob N.
|
||
| Burlington, MA : , : Academic Press, , 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Intermolecular and surface forces / / Jacob N. Israelachvili, University of California, Santa Barbara, California, USA
| Intermolecular and surface forces / / Jacob N. Israelachvili, University of California, Santa Barbara, California, USA |
| Autore | Israelachvili Jacob N. |
| Edizione | [3rd ed.] |
| Pubbl/distr/stampa | Burlington, MA : , : Academic Press, , 2011 |
| Descrizione fisica | 1 online resource (xxx, 674 pages) : illustrations (some color) |
| Disciplina | 541/.226 |
| Collana | Gale eBooks |
| Soggetto topico |
Intermolecular forces
Surface chemistry |
| ISBN |
1-282-88675-4
9786612886751 0-08-092363-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; IFC; Intermolecular and Surface Forces; Copyright; Contents; Preface to the Third Edition; Preface to Second Edition; Preface to the First Edition; Units, Symbols, Useful Quantities and Relations; Definitions and Glossary; PART I -The Forces between Atoms and Molecules; Chapter 1 Historical Perspective; 1.1 The Four Forces of Nature; 1.2 Greek and Medieval Notions of Intermolecular Forces; 1.3 The Seventeenth Century: First Scientific Period; 1.4 The Eighteenth Century: Confusion, Contradictions, and Controversy; 1.5 The Nineteenth Century: Continuum versus Molecular Theories
1.6 Intermolecular Force-Laws and Interaction Potentials: Long- and Short-Range Forces1.7 First Successful Phenomenological Theories; 1.8 First Estimates of Molecular Sizes; 1.9 The Twentieth Century: Understanding Simple Systems; 1.10 Recent Trends; Problems and Discussion Topics; Chapter 2 Thermodynamic and Statistical Aspects of Intermolecular Forces; 2.1 The Interaction of Molecules in Free Space and in a Medium; 2.2 Self-Energy and Pair Potential; 2.3 The Boltzmann Distribution and the Chemical Potential; 2.4 The Distribution of Molecules and Particles in Systems at Equilibrium 2.5 The Van der Waals Equation of State (EOS)2.6 The Criterion of the Thermal Energy kT for Gauging the Strength of an Interaction; 2.7 Classification of Forces and Pair Potentials; 2.8 Theoretical Analyses of Multimolecular Systems: Continuum and Molecular Approaches; 2.9 Molecular Approaches via Computer Simulations: Monte Carlo (MC) and Molecular Dynamics (MD); 2.10 Newton's Laws Applied to Two-Body Collisions; 2.11 Kinetic and Statistical Aspects of Multiple Collisions: the Boltzmann Distribution; Problems and Discussion Topics Chapter 3 Strong Intermolecular Forces: Covalent and Coulomb Interactions3.1 Covalent or Chemical Bonding Forces; 3.2 Physical and Chemical Bonds; 3.3 Coulomb Forces or Charge-Charge Interactions, Gauss's Law; 3.4 Ionic Crystals; 3.5 Reference States; 3.6 Range of Electrostatic Forces; 3.7 The Born Energy of an Ion; 3.8 Solubility of Ions in Different Solvents; 3.9 Specific Ion-Solvent Effects: Continuum Approach; 3.10 Molecular Approach: Computer Simulations and Integral Equations of Many-Body Systems; Problems and Discussion Topics; Chapter 4 Interactions Involving Polar Molecules 4.1 What Are Polar Molecules?4.2 Dipole Self-Energy; 4.3 Ion-Dipole Interactions; 4.4 Ions in Polar Solvents; 4.5 Strong Ion-Dipole Interactions in Water: Hydrated Ions; 4.6 Solvation Forces, Structural Forces, and Hydration Forces; 4.7 Dipole-Dipole Interactions; 4.8 Magnetic Dipoles; 4.9 Hydrogen Bonds; 4.10 Rotating Dipoles and Angle-Averaged Potentials; 4.11 Entropic Effects; Problems and Discussion Topics; Chapter 5 Interactions Involving the Polarization of Molecules; 5.1 The Polarizability of Atoms and Molecules; 5.2 The Polarizability of Polar Molecules 5.3 Other Polarization Mechanisms and the Effects of Polarization on Electrostatic Interactions |
| Record Nr. | UNINA-9910825114303321 |
|
Israelachvili Jacob N.
|
||
| Burlington, MA : , : Academic Press, , 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Intermolecular forces [[electronic resource] /] / edited by Joseph O. Hirshchfelder
| Intermolecular forces [[electronic resource] /] / edited by Joseph O. Hirshchfelder |
| Pubbl/distr/stampa | New York, : Interscience Publishers, c1967 |
| Descrizione fisica | 1 online resource (658 p.) |
| Disciplina |
541
541.305 541/.08 |
| Altri autori (Persone) | HirschfelderJoseph Oakland <1911-> |
| Collana | Advances in chemical physics |
| Soggetto topico |
Molecular dynamics
Intermolecular forces |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-282-34736-5
9786612347368 0-470-14358-4 0-470-14397-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
INTERMOLECULAR FORCES; CONTENTS; PART I. THEORY; 1. The Nature of Intermolecular Forces; 2. Permanent and Induced Molecular Moments and Long-Range Intermolecular Forces; 3. New Methods for Calculating Long-Range Intermolecular Forces; 4. Very Long-Range (Retardation Effect) Intermolecular Forces; 5. Reaction Field Techniques and Their Applications to Inter-molecular Forces; 6. Intermolecular Forces in Liquids; PART II. EXPERIMENTAL DETERMINATIONS; 7. Methods for the Determination of Intermolecular Forces; 8. Determination of Intermolecular Forces via Low-Energy Molecular Beam Scattering
9. Microwave Pressure Broadening and Its Application to Inter-molecular Forces10. Intermolecular Forces Determined by Nuclear Magnetic Resonance; Author Index; Subject Index; Cumulative Indexes to Volumes 1-13 |
| Record Nr. | UNINA-9910144266503321 |
| New York, : Interscience Publishers, c1967 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Intermolecular forces [[electronic resource] /] / edited by Joseph O. Hirshchfelder
| Intermolecular forces [[electronic resource] /] / edited by Joseph O. Hirshchfelder |
| Pubbl/distr/stampa | New York, : Interscience Publishers, c1967 |
| Descrizione fisica | 1 online resource (658 p.) |
| Disciplina |
541
541.305 541/.08 |
| Altri autori (Persone) | HirschfelderJoseph Oakland <1911-> |
| Collana | Advances in chemical physics |
| Soggetto topico |
Molecular dynamics
Intermolecular forces |
| ISBN |
1-282-34736-5
9786612347368 0-470-14358-4 0-470-14397-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
INTERMOLECULAR FORCES; CONTENTS; PART I. THEORY; 1. The Nature of Intermolecular Forces; 2. Permanent and Induced Molecular Moments and Long-Range Intermolecular Forces; 3. New Methods for Calculating Long-Range Intermolecular Forces; 4. Very Long-Range (Retardation Effect) Intermolecular Forces; 5. Reaction Field Techniques and Their Applications to Inter-molecular Forces; 6. Intermolecular Forces in Liquids; PART II. EXPERIMENTAL DETERMINATIONS; 7. Methods for the Determination of Intermolecular Forces; 8. Determination of Intermolecular Forces via Low-Energy Molecular Beam Scattering
9. Microwave Pressure Broadening and Its Application to Inter-molecular Forces10. Intermolecular Forces Determined by Nuclear Magnetic Resonance; Author Index; Subject Index; Cumulative Indexes to Volumes 1-13 |
| Record Nr. | UNINA-9910643213703321 |
| New York, : Interscience Publishers, c1967 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Intermolecular forces [[electronic resource] /] / edited by Joseph O. Hirshchfelder
| Intermolecular forces [[electronic resource] /] / edited by Joseph O. Hirshchfelder |
| Pubbl/distr/stampa | New York, : Interscience Publishers, c1967 |
| Descrizione fisica | 1 online resource (658 p.) |
| Disciplina |
541
541.305 541/.08 |
| Altri autori (Persone) | HirschfelderJoseph O. <1911-1990> |
| Collana | Advances in chemical physics |
| Soggetto topico |
Molecular dynamics
Intermolecular forces |
| ISBN |
1-282-34736-5
9786612347368 0-470-14358-4 0-470-14397-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
INTERMOLECULAR FORCES; CONTENTS; PART I. THEORY; 1. The Nature of Intermolecular Forces; 2. Permanent and Induced Molecular Moments and Long-Range Intermolecular Forces; 3. New Methods for Calculating Long-Range Intermolecular Forces; 4. Very Long-Range (Retardation Effect) Intermolecular Forces; 5. Reaction Field Techniques and Their Applications to Inter-molecular Forces; 6. Intermolecular Forces in Liquids; PART II. EXPERIMENTAL DETERMINATIONS; 7. Methods for the Determination of Intermolecular Forces; 8. Determination of Intermolecular Forces via Low-Energy Molecular Beam Scattering
9. Microwave Pressure Broadening and Its Application to Inter-molecular Forces10. Intermolecular Forces Determined by Nuclear Magnetic Resonance; Author Index; Subject Index; Cumulative Indexes to Volumes 1-13 |
| Record Nr. | UNISA-996203163803316 |
| New York, : Interscience Publishers, c1967 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Intermolecular forces / / edited by Joseph O. Hirshchfelder
| Intermolecular forces / / edited by Joseph O. Hirshchfelder |
| Pubbl/distr/stampa | New York, : Interscience Publishers, c1967 |
| Descrizione fisica | 1 online resource (658 p.) |
| Disciplina |
541
541.305 541/.08 |
| Altri autori (Persone) | HirschfelderJoseph Oakland <1911-> |
| Collana | Advances in chemical physics |
| Soggetto topico |
Molecular dynamics
Intermolecular forces |
| ISBN |
1-282-34736-5
9786612347368 0-470-14358-4 0-470-14397-5 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
INTERMOLECULAR FORCES; CONTENTS; PART I. THEORY; 1. The Nature of Intermolecular Forces; 2. Permanent and Induced Molecular Moments and Long-Range Intermolecular Forces; 3. New Methods for Calculating Long-Range Intermolecular Forces; 4. Very Long-Range (Retardation Effect) Intermolecular Forces; 5. Reaction Field Techniques and Their Applications to Inter-molecular Forces; 6. Intermolecular Forces in Liquids; PART II. EXPERIMENTAL DETERMINATIONS; 7. Methods for the Determination of Intermolecular Forces; 8. Determination of Intermolecular Forces via Low-Energy Molecular Beam Scattering
9. Microwave Pressure Broadening and Its Application to Inter-molecular Forces10. Intermolecular Forces Determined by Nuclear Magnetic Resonance; Author Index; Subject Index; Cumulative Indexes to Volumes 1-13 |
| Record Nr. | UNINA-9910877373903321 |
| New York, : Interscience Publishers, c1967 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Intermolecular interactions [[electronic resource] ] : physical picture, computational methods, model potentials / / Ilya G. Kaplan
| Intermolecular interactions [[electronic resource] ] : physical picture, computational methods, model potentials / / Ilya G. Kaplan |
| Autore | Kaplan I. G (Ilʹi͡a Grigorʹevich) |
| Pubbl/distr/stampa | Hoboken, NJ, : Wiley, c2006 |
| Descrizione fisica | 1 online resource (381 p.) |
| Disciplina |
541.394
541/.394 |
| Soggetto topico |
Molecular dynamics
Intermolecular forces |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-44910-1
9786610449101 0-470-30035-3 0-470-86334-X 0-470-86333-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials; Contents; Preface; 1 Background Knowledge; 1.1 The Subject and its Specificity; 1.2 A Brief Historical Survey; 1.3 The Concept of Interatomic Potential and Adiabatic Approximation; 1.4 General Classification of Intermolecular Interactions; References; 2 Types of Intermolecular Interactions: Qualitative Picture; 2.1 Direct Electrostatic Interactions; 2.1.1 General expressions; 2.1.2 Multipole moments; 2.1.3 Multipole-multipole interactions; 2.2 Resonance Interaction; 2.3 Polarization Interactions
2.3.1 Induction interactions2.3.2 Dispersion interactions; 2.4 Exchange Interaction; 2.5 Retardation Effects in Long-Range Interactions and the Influence of Temperature; 2.6 Relativistic (Magnetic) Interactions; 2.7 Interaction Between Macroscopic Bodies; References; 3 Calculation of Intermolecular Interactions; 3.1 Large Distances; 3.1.1 Derivation of the general expression for the multipole expansion of the Coulomb interaction energy operator; 3.1.2 Interaction energy of two atoms in S-states; 3.1.3 Dispersion and induction interactions of molecular systems 3.1.4 Convergence of the multipole expansion3.1.4.1 Perturbation series and the multipole expansion; 3.1.4.2 Study of the convergence of the multipole expansion; 3.1.5 Elimination of divergence in the multipole expansion; 3.2 Intermediate and Short Distances; 3.2.1 Perturbation theory with exchange; 3.2.1.1 Ambiguity of the exchange-perturbation theory series; 3.2.1.2 Symmetry adapted perturbation theories; 3.2.1.3 Methods allowing the standard Rayleigh- Schr ̈odinger perturbation theory to be applied; 3.2.2 Variational methods 3.2.2.1 The Hartree-Fock approximation and accounting for the electron correlation3.2.2.2 Basis set superposition error; 3.2.2.3 Density functional theory; References; 4 Nonadditivity of Intermolecular Interactions; 4.1 Physical Nature of Nonadditivity and the Definition of Many-Body Forces; 4.2 Manifestations of Nonadditive Effects; 4.3 Perturbation Theory and Many-Body Decomposition; 4.3.1 General formulae; 4.3.2 Proof of the additivity of the dispersion energy in the second order of PT; 4.3.3 The dispersion energies of higher orders; 4.4 Many-Body Effects in Atomic Clusters 4.4.1 Rare gas clusters4.4.2 Metal clusters; 4.4.3 Nature of binding in alkaline-earth clusters; 4.4.3.1 Why the study of binding of alkaline-earth elements is important; 4.4.3.2 Nature of binding in dimers and trimers; 4.4.3.3 Population of vacant atomic orbitals; 4.5 Atom-Atom Potential Scheme and Nonadditivity; References; 5 Model Potentials; 5.1 Semiempirical Model Potentials; 5.1.1 Hard-sphere model potentials; 5.1.2 Lennard-Jones potential; 5.1.3 Modifications of the Lennard-Jones potential; 5.1.3.1 (12-6-4) potential; 5.1.3.2 (m-6-8) potential; 5.1.3.3 Kihara potential 5.1.4 Buckingham potential |
| Record Nr. | UNINA-9910143551103321 |
|
Kaplan I. G (Ilʹi͡a Grigorʹevich)
|
||
| Hoboken, NJ, : Wiley, c2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Intermolecular interactions [[electronic resource] ] : physical picture, computational methods, model potentials / / Ilya G. Kaplan
| Intermolecular interactions [[electronic resource] ] : physical picture, computational methods, model potentials / / Ilya G. Kaplan |
| Autore | Kaplan I. G (Ilʹi͡a Grigorʹevich) |
| Pubbl/distr/stampa | Hoboken, NJ, : Wiley, c2006 |
| Descrizione fisica | 1 online resource (381 p.) |
| Disciplina |
541.394
541/.394 |
| Soggetto topico |
Molecular dynamics
Intermolecular forces |
| ISBN |
1-280-44910-1
9786610449101 0-470-30035-3 0-470-86334-X 0-470-86333-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials; Contents; Preface; 1 Background Knowledge; 1.1 The Subject and its Specificity; 1.2 A Brief Historical Survey; 1.3 The Concept of Interatomic Potential and Adiabatic Approximation; 1.4 General Classification of Intermolecular Interactions; References; 2 Types of Intermolecular Interactions: Qualitative Picture; 2.1 Direct Electrostatic Interactions; 2.1.1 General expressions; 2.1.2 Multipole moments; 2.1.3 Multipole-multipole interactions; 2.2 Resonance Interaction; 2.3 Polarization Interactions
2.3.1 Induction interactions2.3.2 Dispersion interactions; 2.4 Exchange Interaction; 2.5 Retardation Effects in Long-Range Interactions and the Influence of Temperature; 2.6 Relativistic (Magnetic) Interactions; 2.7 Interaction Between Macroscopic Bodies; References; 3 Calculation of Intermolecular Interactions; 3.1 Large Distances; 3.1.1 Derivation of the general expression for the multipole expansion of the Coulomb interaction energy operator; 3.1.2 Interaction energy of two atoms in S-states; 3.1.3 Dispersion and induction interactions of molecular systems 3.1.4 Convergence of the multipole expansion3.1.4.1 Perturbation series and the multipole expansion; 3.1.4.2 Study of the convergence of the multipole expansion; 3.1.5 Elimination of divergence in the multipole expansion; 3.2 Intermediate and Short Distances; 3.2.1 Perturbation theory with exchange; 3.2.1.1 Ambiguity of the exchange-perturbation theory series; 3.2.1.2 Symmetry adapted perturbation theories; 3.2.1.3 Methods allowing the standard Rayleigh- Schr ̈odinger perturbation theory to be applied; 3.2.2 Variational methods 3.2.2.1 The Hartree-Fock approximation and accounting for the electron correlation3.2.2.2 Basis set superposition error; 3.2.2.3 Density functional theory; References; 4 Nonadditivity of Intermolecular Interactions; 4.1 Physical Nature of Nonadditivity and the Definition of Many-Body Forces; 4.2 Manifestations of Nonadditive Effects; 4.3 Perturbation Theory and Many-Body Decomposition; 4.3.1 General formulae; 4.3.2 Proof of the additivity of the dispersion energy in the second order of PT; 4.3.3 The dispersion energies of higher orders; 4.4 Many-Body Effects in Atomic Clusters 4.4.1 Rare gas clusters4.4.2 Metal clusters; 4.4.3 Nature of binding in alkaline-earth clusters; 4.4.3.1 Why the study of binding of alkaline-earth elements is important; 4.4.3.2 Nature of binding in dimers and trimers; 4.4.3.3 Population of vacant atomic orbitals; 4.5 Atom-Atom Potential Scheme and Nonadditivity; References; 5 Model Potentials; 5.1 Semiempirical Model Potentials; 5.1.1 Hard-sphere model potentials; 5.1.2 Lennard-Jones potential; 5.1.3 Modifications of the Lennard-Jones potential; 5.1.3.1 (12-6-4) potential; 5.1.3.2 (m-6-8) potential; 5.1.3.3 Kihara potential 5.1.4 Buckingham potential |
| Record Nr. | UNISA-996212478003316 |
|
Kaplan I. G (Ilʹi͡a Grigorʹevich)
|
||
| Hoboken, NJ, : Wiley, c2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
| ||
Intermolecular interactions [[electronic resource] ] : physical picture, computational methods, model potentials / / Ilya G. Kaplan
| Intermolecular interactions [[electronic resource] ] : physical picture, computational methods, model potentials / / Ilya G. Kaplan |
| Autore | Kaplan I. G (Ilʹi͡a Grigorʹevich) |
| Pubbl/distr/stampa | Hoboken, NJ, : Wiley, c2006 |
| Descrizione fisica | 1 online resource (381 p.) |
| Disciplina |
541.394
541/.394 |
| Soggetto topico |
Molecular dynamics
Intermolecular forces |
| ISBN |
1-280-44910-1
9786610449101 0-470-30035-3 0-470-86334-X 0-470-86333-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials; Contents; Preface; 1 Background Knowledge; 1.1 The Subject and its Specificity; 1.2 A Brief Historical Survey; 1.3 The Concept of Interatomic Potential and Adiabatic Approximation; 1.4 General Classification of Intermolecular Interactions; References; 2 Types of Intermolecular Interactions: Qualitative Picture; 2.1 Direct Electrostatic Interactions; 2.1.1 General expressions; 2.1.2 Multipole moments; 2.1.3 Multipole-multipole interactions; 2.2 Resonance Interaction; 2.3 Polarization Interactions
2.3.1 Induction interactions2.3.2 Dispersion interactions; 2.4 Exchange Interaction; 2.5 Retardation Effects in Long-Range Interactions and the Influence of Temperature; 2.6 Relativistic (Magnetic) Interactions; 2.7 Interaction Between Macroscopic Bodies; References; 3 Calculation of Intermolecular Interactions; 3.1 Large Distances; 3.1.1 Derivation of the general expression for the multipole expansion of the Coulomb interaction energy operator; 3.1.2 Interaction energy of two atoms in S-states; 3.1.3 Dispersion and induction interactions of molecular systems 3.1.4 Convergence of the multipole expansion3.1.4.1 Perturbation series and the multipole expansion; 3.1.4.2 Study of the convergence of the multipole expansion; 3.1.5 Elimination of divergence in the multipole expansion; 3.2 Intermediate and Short Distances; 3.2.1 Perturbation theory with exchange; 3.2.1.1 Ambiguity of the exchange-perturbation theory series; 3.2.1.2 Symmetry adapted perturbation theories; 3.2.1.3 Methods allowing the standard Rayleigh- Schr ̈odinger perturbation theory to be applied; 3.2.2 Variational methods 3.2.2.1 The Hartree-Fock approximation and accounting for the electron correlation3.2.2.2 Basis set superposition error; 3.2.2.3 Density functional theory; References; 4 Nonadditivity of Intermolecular Interactions; 4.1 Physical Nature of Nonadditivity and the Definition of Many-Body Forces; 4.2 Manifestations of Nonadditive Effects; 4.3 Perturbation Theory and Many-Body Decomposition; 4.3.1 General formulae; 4.3.2 Proof of the additivity of the dispersion energy in the second order of PT; 4.3.3 The dispersion energies of higher orders; 4.4 Many-Body Effects in Atomic Clusters 4.4.1 Rare gas clusters4.4.2 Metal clusters; 4.4.3 Nature of binding in alkaline-earth clusters; 4.4.3.1 Why the study of binding of alkaline-earth elements is important; 4.4.3.2 Nature of binding in dimers and trimers; 4.4.3.3 Population of vacant atomic orbitals; 4.5 Atom-Atom Potential Scheme and Nonadditivity; References; 5 Model Potentials; 5.1 Semiempirical Model Potentials; 5.1.1 Hard-sphere model potentials; 5.1.2 Lennard-Jones potential; 5.1.3 Modifications of the Lennard-Jones potential; 5.1.3.1 (12-6-4) potential; 5.1.3.2 (m-6-8) potential; 5.1.3.3 Kihara potential 5.1.4 Buckingham potential |
| Record Nr. | UNINA-9910830913603321 |
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Kaplan I. G (Ilʹi͡a Grigorʹevich)
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| Hoboken, NJ, : Wiley, c2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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