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1 . Academic Journal
Combining EXAFS and Computer Simulations to Refine the Structural Description of Actinyls in Water
저자
by
Sergio Pérez-Conesa
;
José M. Martínez
;
Rafael R. Pappalardo
;
Enrique Sánchez Marcos
.
소스
Molecules, Vol 25, Iss 22, p 5250 (2020)
Open Access (DOAJ)
Web of Science
Scopus
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6 .
A Coupled EXAFS–Molecular Dynamics Study on PuO2+ and NpO2+ Hydration: The Importance of Electron Correlation in Force-Field Building
저자
by
Gema Raposo-Hernández
;
José M. Martínez
;
Rafael R. Pappalardo
;
Christophe Den Auwer
;
Enrique Sánchez Marcos
.
소스
Inorganic Chemistry
. 61:8703-8714
Open Access (OpenAIRE)
Web of Science
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7 .
Shedding light on the metal-phthalocyanine EXAFS spectra through classical and ab initio molecular dynamics
저자
by
Gema Raposo-Hernández
;
Enrique Sánchez Marcos
;
Rafael R. Pappalardo
;
José M. Martínez
.
소스
The Journal of Chemical Physics
. 158:064110
Full Text (AIP)
Web of Science
Scopus
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6 .
Revisiting the cobalt(II) hydration from molecular dynamics and X-ray absorption spectroscopy
저자
by
José M. Martínez
;
Rafael R. Pappalardo
;
Enrique Sánchez Marcos
;
Christophe Den Auwer
;
Benjamin Reeves
, et al.
소스
Molecular Physics
. 117:3320-3328
Web of Science
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7 .
Hydration of Heavy Alkaline-Earth Cations Studied by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy
저자
by
Enrique Sánchez Marcos
;
José M. Martínez
;
Rafael R. Pappalardo
;
Daniel Z. Caralampio
;
Universidad de Sevilla. Departamento de Química Física
.
소스
idUS. Depósito de Investigación de la Universidad de Sevilla
instname
Inorganic Chemistry
Open Access (OpenAIRE)
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7 .
Extracting the Americyl Hydration from an Americium Cationic Mixture in Solution: A Combined X-ray Absorption Spectroscopy and Molecular Dynamics Study
저자
by
Sergio Pérez-Conesa
;
Enrique Sánchez Marcos
;
Rafael R. Pappalardo
;
José M. Martínez
.
소스
Inorganic Chemistry
. 57:8089-8097
Web of Science
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6 . Academic Journal
Po(IV) Hydration: A Quantum Chemical Study.
저자
by
Regla Ayala
;
Jose Manuel Martinez
;
Rafael R. Pappalardo
;
A. Muñoz-Paez
;
Enrique Sanchez Marcos
.
소스
Journal of Physical Chemistry B
. May2008, Vol. 112 Issue 17, p5416-5422. 7p.
Full Text (ACS)
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7 . Academic Journal
Combined Experimental and Theoretical Approach to the Study of Structure and Dynamics of the Most Inert Aqua Ion Ir(H2O)63in Aqueous Solution.
저자
by
Flora Carrera
;
Francisco Torrico
;
David T. Richens
;
Adela Muñoz-Páez
;
José M. Martínez
, et al.
소스
Journal of Physical Chemistry B
. Jul2007, Vol. 111 Issue 28, p8223-8233. 11p.
Full Text (ACS)
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7 .
The hydration structure of the heavy-alkalines Rb+ and Cs+ through molecular dynamics and X-ray absorption spectroscopy: surface clusters and eccentricity
저자
by
José M. Martínez
;
Rafael R. Pappalardo
;
Enrique Sánchez Marcos
;
Daniel Z. Caralampio
.
소스
Physical Chemistry Chemical Physics
. 19:28993-29004
Full Text (RSC Gold)
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6 . Academic Journal
Studies on Stereoselective [2+2] Cycloadditions between N,N-Dialkylhydrazones and Ketenes.
저자
by
Elosa Martn-Zamora
;
Ana Ferrete
;
Jos M. Llera
;
Jess M. Muoz
;
Rafael R. Pappalardo
, et al.
소스
Chemistry - A European Journal; Dec2004, Vol. 10 Issue 23, p6111-6129, 19p
Full Text (Wiley)
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