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Combining EXAFS and Computer Simulations to Refine the Structural Description of Actinyls in Water |
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| Authors: | Sergio Pé rez-Conesa,José M. Martí nez,Rafael R. Pappalardo,Enrique Sá nchez Marcos |
| Affiliation: | Departamento de Química Física, Universidad de Sevilla, 41012 Sevilla, Spain; (S.P.-C.); (J.M.M.); (R.R.P.) |
| Abstract: | |
| Keywords: | actinyls in water EXAFS MD simulations force field development FEFF electron correlation |