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Analyzing ZnO clusters through the density-functional theory.
J Mol Model. 2018 Jun 16;24(7):164. doi: 10.1007/s00894-018-3691-y.
J Mol Model. 2018.
PMID: 29909582
DFT: a dynamic study of the interaction of ethanol and methanol with platinum.
Zaragoza IP, Salcedo R, Vergara J.
Zaragoza IP, et al.
J Mol Model. 2009 May;15(5):447-51. doi: 10.1007/s00894-008-0429-2. Epub 2008 Dec 12.
J Mol Model. 2009.
PMID: 19082849
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A DFT study of addition reaction between fragment ion (CH₂) units and fullerene (C₆₀) molecule.
Zaragoza IP, Vergara J, Pérez-Manríquez L, Salcedo R.
Zaragoza IP, et al.
J Mol Model. 2011 May;17(5):1035-40. doi: 10.1007/s00894-010-0798-1. Epub 2010 Jul 24.
J Mol Model. 2011.
PMID: 20658255
Free PMC article.
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Electronic analysis of vanadium and iron complexes containing distorted aromatic rings.
Zaragoza IP, Salcedo R, Miranda-Ordoñez U, Muñiz J, Sansores LE.
Zaragoza IP, et al.
J Mol Model. 2008 Nov;14(11):1003-8. doi: 10.1007/s00894-008-0333-9. Epub 2008 Jul 19.
J Mol Model. 2008.
PMID: 18642034
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Selectivity of a model zeolite ring over hydrocarbons with different symmetry, travelling with different orientations and speeds.
Zaragoza IP, García-Serrano LA, Santamaria R.
Zaragoza IP, et al.
J Phys Chem B. 2005 Jan 20;109(2):705-10. doi: 10.1021/jp0476491.
J Phys Chem B. 2005.
PMID: 16866430
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