Sainz-Díaz CI - Search Results

1

DFT research on the dehydroxylation reaction of pyrophyllite 2. Characterization of reactants, intermediates, and transition states along the reaction path.

Molina-Montes E, Donadio D, Hernández-Laguna A, Sainz-Díaz CI. Molina-Montes E, et al. J Phys Chem A. 2008 Jul 17;112(28):6373-83. doi: 10.1021/jp8010876. Epub 2008 Jun 19. J Phys Chem A. 2008. PMID: 18563890

2

Chiral symmetry breaking and polymorphism in 1,1'-binaphthyl melt crystallization.

Sainz-Díaz CI, Martín-Islan AP, Cartwright JH. Sainz-Díaz CI, et al. J Phys Chem B. 2005 Oct 13;109(40):18758-64. doi: 10.1021/jp0518198. J Phys Chem B. 2005. PMID: 16853413

3

Crystalline polymorphism and molecular structure of sodium pravastatin.

Martín-Islan AP, Cruzado MC, Asensio R, Sainz-Díaz CI. Martín-Islan AP, et al. J Phys Chem B. 2006 Dec 28;110(51):26148-59. doi: 10.1021/jp0624449. J Phys Chem B. 2006. PMID: 17181270

4

DFT research on the dehydroxylation reaction of pyrophyllite 1. First-principle molecular dynamics simulations.

Molina-Montes E, Donadio D, Hernández-Laguna A, Sainz-Díaz CI, Parrinello M. Molina-Montes E, et al. J Phys Chem B. 2008 Jun 12;112(23):7051-60. doi: 10.1021/jp711278s. Epub 2008 May 20. J Phys Chem B. 2008. PMID: 18489137

5

Exploring the rehydroxylation reaction of pyrophyllite by ab initio molecular dynamics.

Molina-Montes E, Donadio D, Hernández-Laguna A, Sainz-Díaz CI. Molina-Montes E, et al. J Phys Chem B. 2010 Jun 10;114(22):7593-601. doi: 10.1021/jp102239k. J Phys Chem B. 2010. PMID: 20469939

6

Theoretical study of the hydrogen bonding and infrared spectroscopy in the cis-vacant polymorph of dioctahedral 2:1 phyllosilicates.

Escamilla-Roa E, Hernández-Laguna A, Sainz-Díaz CI. Escamilla-Roa E, et al. J Mol Model. 2014 Sep;20(9):2404. doi: 10.1007/s00894-014-2404-4. Epub 2014 Aug 22. J Mol Model. 2014. PMID: 25146428

7

Theoretical study on the influence of the Mg2+ and Al3+ octahedral cations on the vibrational spectra of the hydroxy groups of dioctahedral 2:1 phyllosilicate models.

Hernández-Haro N, Ortega-Castro J, Pruneda M, Sainz-Díaz CI, Hernández-Laguna A. Hernández-Haro N, et al. J Mol Model. 2014 Sep;20(9):2402. doi: 10.1007/s00894-014-2402-6. Epub 2014 Sep 3. J Mol Model. 2014. PMID: 25182015

8

Molecular modeling and infrared and Raman spectroscopy of the crystal structure of the chiral antiparasitic drug Praziquantel.

Borrego-Sánchez A, Hernández-Laguna A, Sainz-Díaz CI. Borrego-Sánchez A, et al. J Mol Model. 2017 Apr;23(4):106. doi: 10.1007/s00894-017-3266-3. Epub 2017 Mar 8. J Mol Model. 2017. PMID: 28275906

9

A DFT study of the adsorption of glycine in the interlayer space of montmorillonite.

Escamilla-Roa E, Huertas FJ, Hernández-Laguna A, Sainz-Díaz CI. Escamilla-Roa E, et al. Phys Chem Chem Phys. 2017 Jun 14;19(23):14961-14971. doi: 10.1039/c7cp02300f. Phys Chem Chem Phys. 2017. PMID: 28561083

10

Conformational polymorphic changes in the crystal structure of the chiral antiparasitic drug praziquantel and interactions with calcium carbonate.

Borrego-Sánchez A, Carazo E, Albertini B, Passerini N, Perissutti B, Cerezo P, Viseras C, Hernández-Laguna A, Aguzzi C, Sainz-Díaz CI. Borrego-Sánchez A, et al. Eur J Pharm Biopharm. 2018 Nov;132:180-191. doi: 10.1016/j.ejpb.2018.09.028. Epub 2018 Sep 26. Eur J Pharm Biopharm. 2018. PMID: 30267834 Free article.

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