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Aqueous PdII and PtII: Anionic Hydration Revealed by Car–Parrinello Simulations |
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| Authors: | Elizabeth C. Beret Rafael R. Pappalardo Dr. Nikos L. Doltsinis Dr. Dominik Marx Prof. Dr. Enrique Sánchez Marcos Prof. Dr. |
| Affiliation: | 1. Departamento de Química Física, Universidad de Sevilla, 41012 Sevilla, Spain, Fax: (+34)?954?557?174;2. Lehrstuhl für Theoretische Chemie, Ruhr‐Universit?t Bochum, 44780 Bochum, Germany, Fax: (+49)?234?321?4045;3. Current address: Department of Physics, King's College London, London WC2R 2LS, United Kingdom |
| Abstract: | |
| Keywords: | ab initio calculations electronic structure molecular dynamics protolysis square‐planar aqua ions |