검색결과 : 36건
| No. | Article |
|---|---|
| 1 |
Hydration Structure of the Elusive Ac(III) Aqua Ion: Interpretation of X-ray Absorption Spectroscopy (XAS) Spectra on the Basis of Molecular Dynamics (MD) Simulations Pappalardo RR, Caralampio DZ, Martinez JM, Marcos ES Inorganic Chemistry, 58(4), 2777, 2019 |
| 2 |
Extracting the Americyl Hydration from an Americium Cationic Mixture in Solution: A Combined X-ray Absorption Spectroscopy and Molecular Dynamics Study Perez-Conesa S, Martinez JM, Pappalardo RR, Marcos ES Inorganic Chemistry, 57(14), 8089, 2018 |
| 3 |
Effect of Basicity on the Hydrolysis of the Bi(III) Aqua Ion in Solution: An Ab Initio Molecular Dynamics Study Ayala R, Martinez JM, Pappalardo RR, Refson K, Marcos ES Journal of Physical Chemistry A, 122(7), 1905, 2018 |
| 4 |
Quantum-Mechanical Study on the Aquaions and Hydrolyzed Species of Po(IV), Te(IV), and Bi(III) in Water Ayala R, Martinez JM, Pappalardo RR, Marcos ES Journal of Physical Chemistry B, 116(51), 14903, 2012 |
| 5 |
Axial Structure of the Pd(II) Aqua Ion in Solution Bowron DT, Beret EC, Martin-Zamora E, Soper AK, Marcos ES Journal of the American Chemical Society, 134(2), 962, 2012 |
| 6 |
An Ab Initio Molecular Dynamics Study on the Hydrolysis of the Po(IV) Aquaion in Water Ayala R, Spezia R, Vuilleumier R, Martinez JM, Pappalardo RR, Marcos ES Journal of Physical Chemistry B, 114(40), 12866, 2010 |
| 7 |
General Quantum-Mechanical Study on the Hydrolysis Equilibria for a Tetravalent Aquaion: The Extreme Case of the Po(IV) in Water Ayala R, Martinez JM, Pappalardo RR, Paez AM, Marcos ES Journal of Physical Chemistry B, 113(2), 487, 2009 |
| 8 |
Coupling CP-MD Simulations and X-ray Absorption Spectroscopy: Exploring the Structure of Oxaliplatin in Aqueous Solution Beret EC, Provost K, Muller D, Marcos ES Journal of Physical Chemistry B, 113(36), 12343, 2009 |
| 9 |
Po(IV) hydration: A quantum chemical study Ayala R, Martinez JM, Pappalardo RR, Munoz-Paez A, Marcos ES Journal of Physical Chemistry B, 112(17), 5416, 2008 |
| 10 |
Combined experimental and theoretical approach to the study of structure and dynamics of the most inert aqua ion [Ir(H2O)(6)](3+) in aqueous solution Carrera F, Torrico F, Richens DT, Munoz-Paez A, Martinez JM, Pappalardo RR, Marcos ES Journal of Physical Chemistry B, 111(28), 8223, 2007 |