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Studies of the structure and reactivity of transition metal compounds through ab initio and hybrid QM/MM molecular dynamics simulations
| Metadata Label | Value |
|---|---|
| Author(s): | Magistrato, Alessandra |
| Publisher: | Unknown |
| Citation: | Magistrato, Alessandra. Studies of the structure and reactivity of transition metal compounds through ab initio and hybrid QM/MM molecular dynamics simulations. (2001). http://dx.doi.org/10.3929/ethz-a-004176990 |
| Document Type: | Doctoral and Habilitation Theses |
| Documents: |
Abstract
(170.71KB) |
Detailed Information
| Metadata | Description |
|---|---|
| Title | Studies of the structure and reactivity of transition metal compounds through ab initio and hybrid QM/MM molecular dynamics simulations |
| Author(s) | Magistrato, Alessandra |
| Publication Place | Zürich |
| Publication Date | 2001 |
| Notes | Diss., Naturwissenschaften ETH Zürich, Nr. 14143, 2001 |
| Language | English |
| DOI | http://dx.doi.org/10.3929/ethz-a-004176990 |
| Subject(s) | Theoretical Chemistry, Quantum Chemistry |
| Keyword(s) |
AB INITIO METHOD QUANTUM CHEMISTRY TRANSITION METAL COMPOUNDS INORGANIC CHEMISTRY REACTION MECHANISMS REACTIVITY CHEMICAL KINETICS MOLECULAR STRUCTURE CHEMISTRY |
| Description | File Name | MIME Type | Size |
|---|---|---|---|
| Abstract |
eth-24118-01.pdf |
application/pdf | 170.71KB |
| Description | URL |
|---|---|
| NEBIS Link | http://opac.nebis.ch/F/?local_base=NEBIS&func=find-b&find_code=SYS&request=004176990 |
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E-Collection record created: Fri, 18 Apr 2008, 22:49:56 CET