The Atom-Atom Potential Method: Applications to Organic Molecular Solids
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Berlin, Heidelberg
Springer Berlin Heidelberg
1987
|
| Schriftenreihe: | Springer Series in Chemical Physics
43 |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | The history of physics furnishes many examples of how a simple semiempirical method, essentially based on intuitive considerations, may prove to be much more successful than a rigorous theoretical approach. A pertinent example is the method of atom-atom potentials, which treats the intermolecular interactions between polyatomic molecules in terms of pairwise interactions between their constituent atoms. Despite a few conceptual shortcomings, the method provides a fairly reliable practical means of handling, on a microscopic level, a wide range of problems that arise in the solid-state physics and chemistry of organic compounds. This monograph is an attempt to generalize the experience gained in the past twenty years in interpreting the static and dynamic properties of organic molecular solids in terms of atom-atom potentials. It embraces nearly all aspects of the application of the method, including an evaluation of cohesive energies, equilibrium crystal structures, phonon spectra, thermodynamic functions, and crystal defects. Many related topics such as the effect of the crystal field on molecular conformation, the determination of crystal structures from raw diffraction data, and the problem of polymorphic transitions are also discussed. We believe that this book will be of use to researchers in solid-state physics, chemistry, crystallography, physical chemistry, and polymer chemistry. It also gives us an opportunity to acknowledge our indebtedness to those who sent us published as well as unpublished information and suggestions, including A.T. Amos, E.L. Bokhenkov, H. Bonadeo, R.K. Boyd, C.P. |
| Beschreibung: | 1 Online-Ressource (X, 400 p) |
| ISBN: | 9783642827129 9783642827143 |
| ISSN: | 0172-6218 |
| DOI: | 10.1007/978-3-642-82712-9 |
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| 500 | |a The history of physics furnishes many examples of how a simple semiempirical method, essentially based on intuitive considerations, may prove to be much more successful than a rigorous theoretical approach. A pertinent example is the method of atom-atom potentials, which treats the intermolecular interactions between polyatomic molecules in terms of pairwise interactions between their constituent atoms. Despite a few conceptual shortcomings, the method provides a fairly reliable practical means of handling, on a microscopic level, a wide range of problems that arise in the solid-state physics and chemistry of organic compounds. This monograph is an attempt to generalize the experience gained in the past twenty years in interpreting the static and dynamic properties of organic molecular solids in terms of atom-atom potentials. It embraces nearly all aspects of the application of the method, including an evaluation of cohesive energies, equilibrium crystal structures, phonon spectra, thermodynamic functions, and crystal defects. Many related topics such as the effect of the crystal field on molecular conformation, the determination of crystal structures from raw diffraction data, and the problem of polymorphic transitions are also discussed. We believe that this book will be of use to researchers in solid-state physics, chemistry, crystallography, physical chemistry, and polymer chemistry. It also gives us an opportunity to acknowledge our indebtedness to those who sent us published as well as unpublished information and suggestions, including A.T. Amos, E.L. Bokhenkov, H. Bonadeo, R.K. Boyd, C.P. | ||
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| indexdate | 2024-07-10T01:20:53Z |
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| isbn | 9783642827129 9783642827143 |
| issn | 0172-6218 |
| language | English |
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| spelling | Pertsin, Alexander J. Verfasser aut The Atom-Atom Potential Method Applications to Organic Molecular Solids by Alexander J. Pertsin, Alexander I. Kitaigorodsky Berlin, Heidelberg Springer Berlin Heidelberg 1987 1 Online-Ressource (X, 400 p) txt rdacontent c rdamedia cr rdacarrier Springer Series in Chemical Physics 43 0172-6218 The history of physics furnishes many examples of how a simple semiempirical method, essentially based on intuitive considerations, may prove to be much more successful than a rigorous theoretical approach. A pertinent example is the method of atom-atom potentials, which treats the intermolecular interactions between polyatomic molecules in terms of pairwise interactions between their constituent atoms. Despite a few conceptual shortcomings, the method provides a fairly reliable practical means of handling, on a microscopic level, a wide range of problems that arise in the solid-state physics and chemistry of organic compounds. This monograph is an attempt to generalize the experience gained in the past twenty years in interpreting the static and dynamic properties of organic molecular solids in terms of atom-atom potentials. It embraces nearly all aspects of the application of the method, including an evaluation of cohesive energies, equilibrium crystal structures, phonon spectra, thermodynamic functions, and crystal defects. Many related topics such as the effect of the crystal field on molecular conformation, the determination of crystal structures from raw diffraction data, and the problem of polymorphic transitions are also discussed. We believe that this book will be of use to researchers in solid-state physics, chemistry, crystallography, physical chemistry, and polymer chemistry. It also gives us an opportunity to acknowledge our indebtedness to those who sent us published as well as unpublished information and suggestions, including A.T. Amos, E.L. Bokhenkov, H. Bonadeo, R.K. Boyd, C.P. Physics Phase Transitions and Multiphase Systems Gittertheorie (DE-588)4157394-8 gnd rswk-swf Organischer Festkörper (DE-588)4172779-4 gnd rswk-swf Festkörperchemie (DE-588)4129288-1 gnd rswk-swf Festkörperphysik (DE-588)4016921-2 gnd rswk-swf Zwischenatomare Kraft (DE-588)4253455-0 gnd rswk-swf Festkörpertheorie (DE-588)4154189-3 gnd rswk-swf Organischer Festkörper (DE-588)4172779-4 s Festkörpertheorie (DE-588)4154189-3 s 1\p DE-604 Zwischenatomare Kraft (DE-588)4253455-0 s 2\p DE-604 Festkörperchemie (DE-588)4129288-1 s 3\p DE-604 Gittertheorie (DE-588)4157394-8 s 4\p DE-604 Festkörperphysik (DE-588)4016921-2 s 5\p DE-604 Kitaigorodsky, Alexander I. Sonstige oth Springer Series in Chemical Physics 43 (DE-604)BV000000670 43 https://doi.org/10.1007/978-3-642-82712-9 Verlag Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 3\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 4\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 5\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Pertsin, Alexander J. The Atom-Atom Potential Method Applications to Organic Molecular Solids Springer Series in Chemical Physics Physics Phase Transitions and Multiphase Systems Gittertheorie (DE-588)4157394-8 gnd Organischer Festkörper (DE-588)4172779-4 gnd Festkörperchemie (DE-588)4129288-1 gnd Festkörperphysik (DE-588)4016921-2 gnd Zwischenatomare Kraft (DE-588)4253455-0 gnd Festkörpertheorie (DE-588)4154189-3 gnd |
| subject_GND | (DE-588)4157394-8 (DE-588)4172779-4 (DE-588)4129288-1 (DE-588)4016921-2 (DE-588)4253455-0 (DE-588)4154189-3 |
| title | The Atom-Atom Potential Method Applications to Organic Molecular Solids |
| title_auth | The Atom-Atom Potential Method Applications to Organic Molecular Solids |
| title_exact_search | The Atom-Atom Potential Method Applications to Organic Molecular Solids |
| title_full | The Atom-Atom Potential Method Applications to Organic Molecular Solids by Alexander J. Pertsin, Alexander I. Kitaigorodsky |
| title_fullStr | The Atom-Atom Potential Method Applications to Organic Molecular Solids by Alexander J. Pertsin, Alexander I. Kitaigorodsky |
| title_full_unstemmed | The Atom-Atom Potential Method Applications to Organic Molecular Solids by Alexander J. Pertsin, Alexander I. Kitaigorodsky |
| title_short | The Atom-Atom Potential Method |
| title_sort | the atom atom potential method applications to organic molecular solids |
| title_sub | Applications to Organic Molecular Solids |
| topic | Physics Phase Transitions and Multiphase Systems Gittertheorie (DE-588)4157394-8 gnd Organischer Festkörper (DE-588)4172779-4 gnd Festkörperchemie (DE-588)4129288-1 gnd Festkörperphysik (DE-588)4016921-2 gnd Zwischenatomare Kraft (DE-588)4253455-0 gnd Festkörpertheorie (DE-588)4154189-3 gnd |
| topic_facet | Physics Phase Transitions and Multiphase Systems Gittertheorie Organischer Festkörper Festkörperchemie Festkörperphysik Zwischenatomare Kraft Festkörpertheorie |
| url | https://doi.org/10.1007/978-3-642-82712-9 |
| volume_link | (DE-604)BV000000670 |
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