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Page 1
Theoretical Modeling of Photocatalytic Degradation Mechanism of Ethylene Over TiO2.
IEEE Trans Nanobioscience. 2022 Jan;21(1):144-148. doi: 10.1109/TNB.2021.3102467. Epub 2021 Dec 30.
IEEE Trans Nanobioscience. 2022.
PMID: 34351862
Microsolvation and hydration enthalpies of CaS2O3(H2O)(n) (n = 0-19) and S2O3(2-)(H2O)(n) (n = 0-16): an ab initio study.
Rosas-García VM, Sáenz-Tavera Idel C, Rojas-Unda Mdel R.
Rosas-García VM, et al.
J Mol Model. 2015 Apr;21(4):98. doi: 10.1007/s00894-015-2638-9. Epub 2015 Mar 28.
J Mol Model. 2015.
PMID: 25821136
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Ab initio calculations and reduced density gradient analyses of the structure and energetics of hydrated calcium fluoride and calcium carbonate.
Sáenz-Tavera IDC , Rosas-García VM .
Sáenz-Tavera IDC , et al. Among authors: rosas garcia vm.
Phys Chem Chem Phys. 2019 Mar 6;21(10):5744-5758. doi: 10.1039/c8cp06353b.
Phys Chem Chem Phys. 2019.
PMID: 30801582
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Substituent Inductive Effects on the Electrochemical Oxidation of Flavonoids Studied by Square Wave Voltammetry and Ab Initio Calculations.
Arroyo-Currás N, Rosas-García VM, Videa M.
Arroyo-Currás N, et al. Among authors: rosas garcia vm.
Molecules. 2016 Oct 27;21(11):1422. doi: 10.3390/molecules21111422.
Molecules. 2016.
PMID: 27801813
Free PMC article.
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Microsolvation and hydration enthalpies of CaC₂O₄(H₂O) n (n=0-16) and C₂O₄²⁻(H₂O) n (n=0-14): an ab initio study.
Rosas-García VM, del Carmen Sáenz-Tavera I, Rodríguez-Herrera VJ, Garza-Campos BR.
Rosas-García VM, et al.
J Mol Model. 2013 Apr;19(4):1459-71. doi: 10.1007/s00894-012-1707-6. Epub 2012 Dec 12.
J Mol Model. 2013.
PMID: 23232865
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Not all carboxylates are created equal: differences in interaction of carboxylated peptides with a CaCO₃ dimer.
Rosas-García VM, de León-Abarte I, Vidal-López G, Palacios-Pargas A, Jáuregui-Prado X.
Rosas-García VM, et al.
Biophys Chem. 2014 Aug;192:27-32. doi: 10.1016/j.bpc.2014.06.003. Epub 2014 Jun 21.
Biophys Chem. 2014.
PMID: 24999163
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Erratum to: Microsolvation and hydration enthalpies of CaC2O4(H2O) n (n = 0-16) and C2O42-(H2O) n (n = 0-14): an ab initio study.
Rosas-García VM, Del Carmen Sáenz-Tavera I, Rodríguez-Herrera VJ, Garza-Campos BR.
Rosas-García VM, et al.
J Mol Model. 2016 Aug;22(8):171. doi: 10.1007/s00894-016-3057-2.
J Mol Model. 2016.
PMID: 27380416
No abstract available.
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