Direct Coexistence Methods to Determine the Solubility of Salts in Water from Numerical Simulations. Test Case NaCl
Manzanilla-Granados, Héctor M, Saint-Martín, Humberto, Fuentes-Azcatl, Raúl, Alejandre, José
Published in The journal of physical chemistry. B (02.07.2015)
Published in The journal of physical chemistry. B (02.07.2015)
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Journal Article
Ammonia Solvation vs Aqueous Solvation of Samarium Diiodide. A Theoretical and Experimental Approach to Understanding Bond Activation Upon Coordination to Sm(II)
Ramírez-Solís, Alejandro, Boekell, Nicholas G, León-Pimentel, César Iván, Saint-Martin, Humberto, Bartulovich, Caroline O, Flowers, Robert A
Published in Journal of organic chemistry (04.02.2022)
Published in Journal of organic chemistry (04.02.2022)
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Journal Article
Experimental and Theoretical Studies on the Implications of Halide-Dependent Aqueous Solvation of Sm(II)
Ramírez-Solís, Alejandro, Bartulovich, Caroline O, Chciuk, Tesia V, Hernández-Cobos, Jorge, Saint-Martin, Humberto, Maron, Laurent, Anderson, William R, Li, Anna M
Published in Journal of the American Chemical Society (05.12.2018)
Published in Journal of the American Chemical Society (05.12.2018)
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Journal Article
Proton donor effects on the reactivity of SmI2. Experimental and theoretical studies on methanol solvation vs. aqueous solvation
Ramírez-Solís, Alejandro, Bartulovich, Caroline O, León-Pimentel, César Iván, Saint-Martin, Humberto, Boekell, Nicholas G, Flowers, Robert A
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2020)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2020)
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Journal Article
Entropic Effects on the Aqueous Microsolvation of Protonated Glycine and Protonated β‑Alanine. Hybrid Density Functional Theory Born–Oppenheimer Molecular Dynamics Studies
Romero-Ramírez, Iván Eliezer, Ramírez-Solís, Alejandro, Saint-Martin Posada, Humberto
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.03.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.03.2023)
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Journal Article
A theoretical study of the confinement of methane in water clusters
Bravo-Pérez, Graciela, Saint-Martin, Humberto
Published in International journal of quantum chemistry (15.11.2012)
Published in International journal of quantum chemistry (15.11.2012)
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Journal Article
Fifty Years of Molecular Simulations at UAM and in Mexico
Nuñez-Rojas, Edgar, Pérez de la Luz, Alexander, Saint-Martín, Humberto, Alejandre, José
Published in Journal of the Mexican Chemical Society (30.09.2024)
Published in Journal of the Mexican Chemical Society (30.09.2024)
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Journal Article
Ion hydration in nanopores and the molecular basis of selectivity
Carrillo-Tripp, Mauricio, San-Román, María Luisa, Hernańdez-Cobos, Jorge, Saint-Martin, Humberto, Ortega-Blake, Iván
Published in Biophysical chemistry (01.12.2006)
Published in Biophysical chemistry (01.12.2006)
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Journal Article
Tracing source and mobility of arsenic and trace elements in a hydrosystem impacted by past mining activities (Morelos state, Mexico)
Barats, Aurélie, Renac, Christophe, Orani, Anna Maria, Durrieu, Gaël, Saint Martin, Humberto, Esteller, Maria Vicenta, Garrido Hoyos, Sofia Esperenza
Published in The Science of the total environment (10.04.2020)
Published in The Science of the total environment (10.04.2020)
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Journal Article
Proton donor effects on the reactivity of SmI 2 . Experimental and theoretical studies on methanol solvation vs . aqueous solvation
Ramírez-Solís, Alejandro, Bartulovich, Caroline O., León-Pimentel, César Iván, Saint-Martin, Humberto, Boekell, Nicholas G., Flowers, Robert A.
Published in Dalton transactions : an international journal of inorganic chemistry (16.06.2020)
Published in Dalton transactions : an international journal of inorganic chemistry (16.06.2020)
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Journal Article
Experimental and Theoretical Studies on the Aqueous Solvation and Reactivity of SmCl 2 and Comparison with SmBr 2 and SmI 2
Ramírez-Solís, Alejandro, Bartulovich, Caroline O., León-Pimentel, César Iván, Saint-Martin, Humberto, Anderson, William R., Flowers, Robert A.
Published in Inorganic chemistry (21.10.2019)
Published in Inorganic chemistry (21.10.2019)
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Journal Article
Experimental and Theoretical Studies on the Aqueous Solvation and Reactivity of SmCl2 and Comparison with SmBr2 and SmI2
Ramírez-Solís, Alejandro, Bartulovich, Caroline O, León-Pimentel, César Iván, Saint-Martin, Humberto, Anderson, William R
Published in Inorganic chemistry (21.10.2019)
Published in Inorganic chemistry (21.10.2019)
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Journal Article
A Molecular Dynamics Calculations of Hole Transfer Rates in DNA Strands
Volobuyev, Maksym, Saint-Martin, Humberto, Adamowicz, Ludwik
Published in The journal of physical chemistry. B (20.09.2007)
Published in The journal of physical chemistry. B (20.09.2007)
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Journal Article
Hydration of CH 3 HgOH and CH 3 HgCl compared to HgCl 2 , HgClOH, and Hg(OH) 2 : A DFT microsolvation cluster approach
Amaro-Estrada, Jorge I, Hernández-Cobos, Jorge, Saint-Martin, Humberto, Maron, Laurent, Ramírez-Solís, Alejandro
Published in The Journal of chemical physics (14.10.2018)
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Published in The Journal of chemical physics (14.10.2018)
Journal Article