Metallic systems: a quantum chemist's perspective
Gespeichert in:
| Format: | Buch |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Boca Raton, Fla. [u.a.]
CRC Press
2011
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XV, 403 S. Ill., graph. Darst. |
| ISBN: | 9781420060775 |
Internformat
MARC
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| 245 | 1 | 0 | |a Metallic systems |b a quantum chemist's perspective |c ed. by Thomas C. Allison ... |
| 264 | 1 | |a Boca Raton, Fla. [u.a.] |b CRC Press |c 2011 | |
| 300 | |a XV, 403 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
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| 650 | 4 | |a Quantum chemistry | |
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Datensatz im Suchindex
| _version_ | 1804145622828187648 |
|---|---|
| adam_text | Titel: Metallic systems
Autor: Allison, Thomas C.
Jahr: 2011
Contents
Introduction..............................................................................................................vii
Contributors...........................................................................................................xiii
Chapter 1 First Principles DFT Studies of Metal-Based Biological
and Biomimetic Systems......................................................................1
Arturo Robertazzi, Alessandra Magistrato, Matteo Dal Peraro,
and Paolo Carloni
Chapter 2 Structural and Thermodynamic Studies of a-Synuclein Proteins
Related to Parkinson s Disease: Impact of Aqueous Solution and
Fe3+Coordination...............................................................................29
Olivia M. Wise, Liang Xu, and Orkid Coskuner
Chapter 3 Carbohydrate and Trivalent Iron Ion Interactions in the Gas
Phase and in Aqueous Solution..........................................................83
Orkid Coskuner and Carlos A. Gonzalez
Chapter 4 Aqueous Solutions of Metal Ions.....................................................107
Orkid Coskuner and Thomas C. Allison
Chapter 5 Structure of Liquid Metal Surfaces: A First Principles
Perspective......................................................................................135
Brent Walker, Nicola Marzari, and Carla Molteni
Chapter 6 Some Practical Considerations for Density Functional Theory
Studies of Chemistry at Metal Surfaces...........................................163
Rudolph J. Magyar, Ann E. Mattsson, and Peter A. Schultz
Chapter 7 Computational Investigations of Metal Oxide Surfaces..................201
Emily A. A. Jarvis and Cynthia S. Lo
Chapter 8 Tight Binding Methods for Metallic Systems..................................225
Luis Rincon, Thomas C. Allison, and Carlos A. Gonzalez
Chapter 9 Density Functional Calculations of Metal Clusters: Structure,
Dynamics, and Reactivity................................................................267
Dennis R. Salahub, Patrizia Calaminici, Gabriel U. Gamboa,
Andreas M. Koster, and J. Manuel Vdsquez
Chapter 10 Density Functional Theory Calculations on Cobalt and
Platinum Transition Metal Clusters..................................................341
All Sebetci
Chapter 11 Exploring the Borderland between Physics and Chemistry:
Theoretical Methods in the Study of Atomic Clusters.....................371
Yamil Simon-Manso, Carlos A. Gonzalez,
and Patricio Fuentealba
Index......................................................................................................................395
|
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| dewey-full | 546.3 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 546 - Inorganic chemistry |
| dewey-raw | 546.3 |
| dewey-search | 546.3 |
| dewey-sort | 3546.3 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| format | Book |
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| indexdate | 2024-07-09T23:22:23Z |
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| isbn | 9781420060775 |
| language | English |
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| physical | XV, 403 S. Ill., graph. Darst. |
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| spelling | Metallic systems a quantum chemist's perspective ed. by Thomas C. Allison ... Boca Raton, Fla. [u.a.] CRC Press 2011 XV, 403 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Metals Quantum chemistry Quantenchemie (DE-588)4047979-1 gnd rswk-swf Metallbindung (DE-588)4169574-4 gnd rswk-swf Metall (DE-588)4038860-8 gnd rswk-swf Quantenchemie (DE-588)4047979-1 s Metallbindung (DE-588)4169574-4 s DE-604 Metall (DE-588)4038860-8 s Allison, Thomas C. Sonstige oth HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=022491559&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Metallic systems a quantum chemist's perspective Metals Quantum chemistry Quantenchemie (DE-588)4047979-1 gnd Metallbindung (DE-588)4169574-4 gnd Metall (DE-588)4038860-8 gnd |
| subject_GND | (DE-588)4047979-1 (DE-588)4169574-4 (DE-588)4038860-8 |
| title | Metallic systems a quantum chemist's perspective |
| title_auth | Metallic systems a quantum chemist's perspective |
| title_exact_search | Metallic systems a quantum chemist's perspective |
| title_full | Metallic systems a quantum chemist's perspective ed. by Thomas C. Allison ... |
| title_fullStr | Metallic systems a quantum chemist's perspective ed. by Thomas C. Allison ... |
| title_full_unstemmed | Metallic systems a quantum chemist's perspective ed. by Thomas C. Allison ... |
| title_short | Metallic systems |
| title_sort | metallic systems a quantum chemist s perspective |
| title_sub | a quantum chemist's perspective |
| topic | Metals Quantum chemistry Quantenchemie (DE-588)4047979-1 gnd Metallbindung (DE-588)4169574-4 gnd Metall (DE-588)4038860-8 gnd |
| topic_facet | Metals Quantum chemistry Quantenchemie Metallbindung Metall |
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