Spin Density Distribution in Open-Shell Transition Metal Systems: A Comparative Post-Hartree–Fock, Density Functional Theory, and Quantum Monte Carlo Study of the CuCl2 Molecule
Caffarel, Michel, Giner, Emmanuel, Scemama, Anthony, Ramírez-Solís, Alejandro
Published in Journal of chemical theory and computation (09.12.2014)
Published in Journal of chemical theory and computation (09.12.2014)
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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
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
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
Nonharmonic vibrational effects in HgClOH: An MP2 Born-Oppenheimer molecular dynamics study
Ramírez-Solís, Alejandro, Maron, Laurent
Published in International journal of quantum chemistry (05.11.2012)
Published in International journal of quantum chemistry (05.11.2012)
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Journal Article
Electronic Charge Density Analysis of Li-Doped Polyacetylene: Molecular vs Periodic Descriptions and Nature of Li-to-Chain Bonding
Hô, Minhhuy, Navarrete-López, Alejandra M, Zicovich-Wilson, Claudio M, Ramírez-Solís, Alejandro
Published in The journal of physical chemistry. B (17.01.2013)
Published in The journal of physical chemistry. B (17.01.2013)
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Journal Article
Systematic ab initio calculations on the energetics and stability of covalent O4
Hernandez-Lamoneda, Ramon, Ramirez-Solis, Alejandro
Published in The Journal of chemical physics (01.06.2004)
Published in The Journal of chemical physics (01.06.2004)
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Journal Article
Theoretical determination of half-wave potentials for phenanthroline-, bipyridine-, acetylacetonate-, and glycinate-containing copper (II) complexes
Valdéz-Camacho, Jonathan Román, Ramírez-Solís, Alejandro, Escalante, Jaime, Ruiz-Azuara, Lena, Hô, Minhhuy
Published in Journal of molecular modeling (02.07.2020)
Published in Journal of molecular modeling (02.07.2020)
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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
Bi- and tridentate stannylphosphines and their coordination to low-valent platinum
Salazar-Díaz, J. Jacobo, Muñoz-Hernández, Miguel A, Rufino-Felipe, Ernesto, Flores-Alamo, Marcos, Ramírez-Solís, Alejandro, Montiel-Palma, Virginia
Published in Dalton transactions : an international journal of inorganic chemistry (14.11.2019)
Published in Dalton transactions : an international journal of inorganic chemistry (14.11.2019)
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Journal Article
Nonadditive effects on the stability of Be 3 : A benchmark CASSCF + averaged quadratic coupled cluster study of the equilateral and linear symmetrical configurations
Ramírez‐Solís, Alejandro, Novaro, Octavio
Published in International journal of quantum chemistry (05.09.2012)
Published in International journal of quantum chemistry (05.09.2012)
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Journal Article
Nonadditive effects on the stability of Be3: A benchmark CASSCF + averaged quadratic coupled cluster study of the equilateral and linear symmetrical configurations
Ramírez-Solís, Alejandro, Novaro, Octavio
Published in International journal of quantum chemistry (05.09.2012)
Published in International journal of quantum chemistry (05.09.2012)
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Journal Article