Crystal Cohesion and Conformational Energies:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Berlin, Heidelberg
Springer Berlin Heidelberg
1981
|
| Schriftenreihe: | Topics in Current Physics
26 |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | With the advent of X-ray diffraction and crystal structure determination in 1912 researchers in physics and chemistry began investigating the problem of crystal co hesion, i. e. , on the question of what holds crystals together. The names of M. Born, E. Madelung, P. P. Ewald, F. Bloch, E. P. Wigner, and J. E. Mayer are, in particular, associated with the pre-1940 work on the cohesion of inorganic lattices. The advent of digital computers brought along great advances in the detailed understanding of ionic crystals, molecular crystals, and metals. The work of P. O. Lowdin and r A. I. Kitaigorodosky are seminal i these more recent advances. This volume is a collection of specialist reports on a subset of the general problem of crystal cohesion. It is intended for researchers and advanced students in solid-state chemistry and physics, and biochemistry. WILLIAMS reports on the mole cule-independent empirical parameters for dispersion and repulsion that explain, and can predict, the cohesive energy of neutral organic lattices. MOMANY applies similar procedures to the conformational energy problem and shows how they can be used for the pharmacological problems of polypeptide drug design. METZGER uses quantum-mechanical molecule-dependent atom-in-molecule charges, dipole moments, and polarizabilities to study the cohesion of organic ionic (semiconducting) and par tially ionic (metallic) lattices. SILVERMAN emphasizes, with quantum-mechanical dimer calculations, the importance of dispersive interactions for the observed stacking modes in organic metallic lattices |
| Beschreibung: | 1 Online-Ressource (XI, 154p. 55 illus) |
| ISBN: | 9783642815775 9783642815799 |
| ISSN: | 0342-6793 |
| DOI: | 10.1007/978-3-642-81577-5 |
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Datensatz im Suchindex
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| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 548 - Crystallography |
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| dewey-search | 548 |
| dewey-sort | 3548 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Physik |
| doi_str_mv | 10.1007/978-3-642-81577-5 |
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| id | DE-604.BV042413732 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T01:20:53Z |
| institution | BVB |
| isbn | 9783642815775 9783642815799 |
| issn | 0342-6793 |
| language | English |
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| physical | 1 Online-Ressource (XI, 154p. 55 illus) |
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| spelling | Metzger, Robert M. Verfasser aut Crystal Cohesion and Conformational Energies edited by Robert M. Metzger Berlin, Heidelberg Springer Berlin Heidelberg 1981 1 Online-Ressource (XI, 154p. 55 illus) txt rdacontent c rdamedia cr rdacarrier Topics in Current Physics 26 0342-6793 With the advent of X-ray diffraction and crystal structure determination in 1912 researchers in physics and chemistry began investigating the problem of crystal co hesion, i. e. , on the question of what holds crystals together. The names of M. Born, E. Madelung, P. P. Ewald, F. Bloch, E. P. Wigner, and J. E. Mayer are, in particular, associated with the pre-1940 work on the cohesion of inorganic lattices. The advent of digital computers brought along great advances in the detailed understanding of ionic crystals, molecular crystals, and metals. The work of P. O. Lowdin and r A. I. Kitaigorodosky are seminal i these more recent advances. This volume is a collection of specialist reports on a subset of the general problem of crystal cohesion. It is intended for researchers and advanced students in solid-state chemistry and physics, and biochemistry. WILLIAMS reports on the mole cule-independent empirical parameters for dispersion and repulsion that explain, and can predict, the cohesive energy of neutral organic lattices. MOMANY applies similar procedures to the conformational energy problem and shows how they can be used for the pharmacological problems of polypeptide drug design. METZGER uses quantum-mechanical molecule-dependent atom-in-molecule charges, dipole moments, and polarizabilities to study the cohesion of organic ionic (semiconducting) and par tially ionic (metallic) lattices. SILVERMAN emphasizes, with quantum-mechanical dimer calculations, the importance of dispersive interactions for the observed stacking modes in organic metallic lattices Physics Crystallography Kohäsion (DE-588)4164485-2 gnd rswk-swf Kristall (DE-588)4033209-3 gnd rswk-swf Kristall (DE-588)4033209-3 s Kohäsion (DE-588)4164485-2 s 1\p DE-604 https://doi.org/10.1007/978-3-642-81577-5 Verlag Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Metzger, Robert M. Crystal Cohesion and Conformational Energies Physics Crystallography Kohäsion (DE-588)4164485-2 gnd Kristall (DE-588)4033209-3 gnd |
| subject_GND | (DE-588)4164485-2 (DE-588)4033209-3 |
| title | Crystal Cohesion and Conformational Energies |
| title_auth | Crystal Cohesion and Conformational Energies |
| title_exact_search | Crystal Cohesion and Conformational Energies |
| title_full | Crystal Cohesion and Conformational Energies edited by Robert M. Metzger |
| title_fullStr | Crystal Cohesion and Conformational Energies edited by Robert M. Metzger |
| title_full_unstemmed | Crystal Cohesion and Conformational Energies edited by Robert M. Metzger |
| title_short | Crystal Cohesion and Conformational Energies |
| title_sort | crystal cohesion and conformational energies |
| topic | Physics Crystallography Kohäsion (DE-588)4164485-2 gnd Kristall (DE-588)4033209-3 gnd |
| topic_facet | Physics Crystallography Kohäsion Kristall |
| url | https://doi.org/10.1007/978-3-642-81577-5 |
| work_keys_str_mv | AT metzgerrobertm crystalcohesionandconformationalenergies |