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Influence of parameters of a reactive interatomic potential on the properties of saturated hydrocarbons / / by Mark A Tschopp [and four others]
| Influence of parameters of a reactive interatomic potential on the properties of saturated hydrocarbons / / by Mark A Tschopp [and four others] |
| Autore | Tschopp Mark A. |
| Pubbl/distr/stampa | Aberdeen Proving Ground, MD : , : US Army Research Laboratory, , Jan 2017 |
| Descrizione fisica | 1 online resource (viii, 52 pages) : color illustrations |
| Collana | ARL-TR |
| Soggetto topico |
Hydrocarbons
Molecular dynamics Matter - Properties |
| Soggetto genere / forma | Technical reports. |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910711498703321 |
Tschopp Mark A.
|
||
| Aberdeen Proving Ground, MD : , : US Army Research Laboratory, , Jan 2017 | ||
| 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 [[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. | UNINA-9910677569503321 |
| 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 |
|
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. | UNINA-9910841110003321 |
|
Kaplan I. G (Ilʹi͡a Grigorʹevich)
|
||
| Hoboken, NJ, : Wiley, c2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Introduction to molecular motion in polymers / / Professor Richard A. Pethrick, Research Professor, Department of Pure and Applied Chemistry at University of Strthclyde, UK, BSc, PhD, DSc, CChem, FRSC, FRSE, FIM, Associate Professor Taweechai Amornsakchai Associate Professor, Department of Chemistry at Mahidol University, Thailand, BSc, PhD, Professor Alastair M. North, OBE, Visiting Professor, Department of Chemistry at Mahidol University, Thailand, BSc, PhD, DSc, FRSE, FRSC
| Introduction to molecular motion in polymers / / Professor Richard A. Pethrick, Research Professor, Department of Pure and Applied Chemistry at University of Strthclyde, UK, BSc, PhD, DSc, CChem, FRSC, FRSE, FIM, Associate Professor Taweechai Amornsakchai Associate Professor, Department of Chemistry at Mahidol University, Thailand, BSc, PhD, Professor Alastair M. North, OBE, Visiting Professor, Department of Chemistry at Mahidol University, Thailand, BSc, PhD, DSc, FRSE, FRSC |
| Autore | Pethrick Richard A. |
| Pubbl/distr/stampa | Dunbeath, Scotland : , : Whittles Publishing, , [2011] |
| Descrizione fisica | 1 online resource (225 p.) |
| Disciplina | 547.7 |
| Soggetto topico |
Polymers
Molecular dynamics |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-62870-078-5
1-84995-112-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
""Title page ""; ""Table of contents ""; ""1 Introduction ""; ""2 Chemical structure of polymers ""; ""3 Nature of molecular motion in polymers ""; ""4 The glass to rubber transition ""; ""5 The glass state ""; ""6 Crystallinity ""; ""7 The rubber state ""; ""8 The liquid/melt state ""; ""9 Drawing and fracture ""; ""10 Dynamic mechanical relaxation ""; ""11 Acoustic (ultrasonic) relaxation ""; ""12 Dielectric relaxation ""; ""13 Photophysics of polymers (excited state relaxation) ""; ""14 Conductivity in polymer systems ""; ""15 Diffusion in polymers ""
""16 Methods of studying molecular motion """"Index "" |
| Record Nr. | UNINA-9910462739203321 |
|
Pethrick Richard A.
|
||
| Dunbeath, Scotland : , : Whittles Publishing, , [2011] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
