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Metallic systems : a quantum chemist's perspective / / edited by Thomas C. Allison, Orkid Coskuner, Carlos A. Gonzalez
| Metallic systems : a quantum chemist's perspective / / edited by Thomas C. Allison, Orkid Coskuner, Carlos A. Gonzalez |
| Pubbl/distr/stampa | Boca Raton, Fla. : , : CRC Press, , 2011 |
| Descrizione fisica | 1 online resource (412 p.) |
| Disciplina | 669/.94 |
| Altri autori (Persone) |
AllisonThomas Clayton
CoskunerOrkid GonzalezCarlos A |
| Soggetto topico |
Metals
Quantum chemistry |
| Soggetto genere / forma | Electronic books. |
| ISBN |
0-429-13823-7
1-4200-6086-4 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Contents; Introduction; Contributors; Chapter 1: First Principles DFT Studies of Metal-Based Biological and Biomimetic Systems; Chapter 2: Structural and Thermodynamic Studies of a-Synuclein Proteins Related to Parkinson's Disease: Impact of Aqueous Solut; Chapter 3: Carbohydrate and Trivalent Iron Ion Interactions in the Gas Phase and in Aqueous Solution; Chapter 4: Aqueous Solutions of Metal Ions; Chapter 5: Structure of Liquid Metal Surfaces: A First Principles Perspective
Chapter 6: Some Practical Considerations for Density Functional Theory Studies of Chemistry at Metal SurfacesChapter 7: Computational Investigations of Metal Oxide Surfaces; Chapter 8: Tight Binding Methods for Metallic Systems; Chapter 9: Density Functional Calculations of Metal Clusters: Structure, Dynamics, and Reactivity; Chapter 10: Density Functional Theory Calculations on Cobalt and Platinum Transition Metal Clusters; Chapter 11: Exploring the Borderland between Physics and Chemistry: Theoretical Methods in the Study of Atomic Clusters; Back Cover |
| Record Nr. | UNINA-9910459589303321 |
| Boca Raton, Fla. : , : CRC Press, , 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Metallic systems : a quantum chemist's perspective / / edited by Thomas C. Allison, Orkid Coskuner, Carlos A. Gonzalez
| Metallic systems : a quantum chemist's perspective / / edited by Thomas C. Allison, Orkid Coskuner, Carlos A. Gonzalez |
| Pubbl/distr/stampa | Boca Raton, Fla. : , : CRC Press, , 2011 |
| Descrizione fisica | 1 online resource (412 p.) |
| Disciplina | 669/.94 |
| Altri autori (Persone) |
AllisonThomas Clayton
CoskunerOrkid GonzalezCarlos A |
| Soggetto topico |
Metals
Quantum chemistry |
| ISBN |
0-429-13823-7
1-4200-6086-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Contents; Introduction; Contributors; Chapter 1: First Principles DFT Studies of Metal-Based Biological and Biomimetic Systems; Chapter 2: Structural and Thermodynamic Studies of a-Synuclein Proteins Related to Parkinson's Disease: Impact of Aqueous Solut; Chapter 3: Carbohydrate and Trivalent Iron Ion Interactions in the Gas Phase and in Aqueous Solution; Chapter 4: Aqueous Solutions of Metal Ions; Chapter 5: Structure of Liquid Metal Surfaces: A First Principles Perspective
Chapter 6: Some Practical Considerations for Density Functional Theory Studies of Chemistry at Metal SurfacesChapter 7: Computational Investigations of Metal Oxide Surfaces; Chapter 8: Tight Binding Methods for Metallic Systems; Chapter 9: Density Functional Calculations of Metal Clusters: Structure, Dynamics, and Reactivity; Chapter 10: Density Functional Theory Calculations on Cobalt and Platinum Transition Metal Clusters; Chapter 11: Exploring the Borderland between Physics and Chemistry: Theoretical Methods in the Study of Atomic Clusters; Back Cover |
| Record Nr. | UNINA-9910790045403321 |
| Boca Raton, Fla. : , : CRC Press, , 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Metallic systems : a quantum chemist's perspective / / edited by Thomas C. Allison, Orkid Coskuner, Carlos A. Gonzalez
| Metallic systems : a quantum chemist's perspective / / edited by Thomas C. Allison, Orkid Coskuner, Carlos A. Gonzalez |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Boca Raton, Fla., : CRC Press, 2011 |
| Descrizione fisica | 1 online resource (412 p.) |
| Disciplina | 669/.94 |
| Altri autori (Persone) |
AllisonThomas Clayton
CoskunerOrkid GonzalezCarlos A |
| Soggetto topico |
Metals
Quantum chemistry |
| ISBN |
0-429-13823-7
1-4200-6086-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Contents; Introduction; Contributors; Chapter 1: First Principles DFT Studies of Metal-Based Biological and Biomimetic Systems; Chapter 2: Structural and Thermodynamic Studies of a-Synuclein Proteins Related to Parkinson's Disease: Impact of Aqueous Solut; Chapter 3: Carbohydrate and Trivalent Iron Ion Interactions in the Gas Phase and in Aqueous Solution; Chapter 4: Aqueous Solutions of Metal Ions; Chapter 5: Structure of Liquid Metal Surfaces: A First Principles Perspective
Chapter 6: Some Practical Considerations for Density Functional Theory Studies of Chemistry at Metal SurfacesChapter 7: Computational Investigations of Metal Oxide Surfaces; Chapter 8: Tight Binding Methods for Metallic Systems; Chapter 9: Density Functional Calculations of Metal Clusters: Structure, Dynamics, and Reactivity; Chapter 10: Density Functional Theory Calculations on Cobalt and Platinum Transition Metal Clusters; Chapter 11: Exploring the Borderland between Physics and Chemistry: Theoretical Methods in the Study of Atomic Clusters; Back Cover |
| Record Nr. | UNINA-9910811579803321 |
| Boca Raton, Fla., : CRC Press, 2011 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Workshop on combustion simulation databases for real transportation fuels / / editor, Jeffery W. Hudgens ; report writing team, Thomas C. Allison [and others]
| Workshop on combustion simulation databases for real transportation fuels / / editor, Jeffery W. Hudgens ; report writing team, Thomas C. Allison [and others] |
| Pubbl/distr/stampa | [Gaithersburg, MD] : , : U.S. Dept. of Commerce, National Institute of Standards and Technology, , [2003] |
| Descrizione fisica | 1 online resource (xii, 36 pages) : color illustrations |
| Altri autori (Persone) |
AllisonThomas Clayton
HudgensJ. W <1949-> (Jeffrey Warren) |
| Collana | NISTIR |
| Soggetto topico |
Transportation - Databases
Transportation - Combustion Transportation - Fuel Transportation |
| Soggetto genere / forma | Conference papers and proceedings. |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Combustion simulation databases for real transportation fuels |
| Record Nr. | UNINA-9910709938403321 |
| [Gaithersburg, MD] : , : U.S. Dept. of Commerce, National Institute of Standards and Technology, , [2003] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||