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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 |
| Institution: | 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 |