Fuentes-Cabrera M - Search Results

1

Effect of charge distribution on RDX adsorption in IRMOF-10.

Xiong R, Keffer DJ, Fuentes-Cabrera M, Nicholson DM, Michalkova A, Petrova T, Leszczynski J, Odbadrakh K, Doss BL, Lewis JP. Xiong R, et al. Langmuir. 2010 Apr 20;26(8):5942-50. doi: 10.1021/la9039013. Langmuir. 2010. PMID: 20205416

2

Molecular simulations of adsorption of RDX and TATP on IRMOF-1(Be).

Scott AM, Petrova T, Odbadrakh K, Nicholson DM, Fuentes-Cabrera M, Lewis JP, Hill FC, Leszczynski J. Scott AM, et al. J Mol Model. 2012 Jul;18(7):3363-78. doi: 10.1007/s00894-011-1338-3. Epub 2012 Jan 21. J Mol Model. 2012. PMID: 22271094

3

Electronic structure and properties of isoreticular metal-organic frameworks: the case of M-IRMOF1 (M = Zn, Cd, Be, Mg, and Ca).

Fuentes-Cabrera M, Nicholson DM, Sumpter BG, Widom M. Fuentes-Cabrera M, et al. J Chem Phys. 2005 Sep 22;123(12):124713. doi: 10.1063/1.2037587. J Chem Phys. 2005. PMID: 16392517

4

Theoretical studies on the intermolecular interactions of potentially primordial base-pair analogues.

Sponer JE, Vázquez-Mayagoitia A, Sumpter BG, Leszczynski J, Sponer J, Otyepka M, Banás P, Fuentes-Cabrera M. Sponer JE, et al. Chemistry. 2010 Mar 8;16(10):3057-65. doi: 10.1002/chem.200902068. Chemistry. 2010. PMID: 20119984

5

Competition between collapse and breakup in nanometer-sized thin rings using molecular dynamics and continuum modeling.

Nguyen TD, Fuentes-Cabrera M, Fowlkes JD, Diez JA, González AG, Kondic L, Rack PD. Nguyen TD, et al. Langmuir. 2012 Oct 2;28(39):13960-7. doi: 10.1021/la303093f. Epub 2012 Sep 21. Langmuir. 2012. PMID: 22957759

6

Dynamic defrosting on nanostructured superhydrophobic surfaces.

Boreyko JB, Srijanto BR, Nguyen TD, Vega C, Fuentes-Cabrera M, Collier CP. Boreyko JB, et al. Langmuir. 2013 Jul 30;29(30):9516-24. doi: 10.1021/la401282c. Epub 2013 Jul 16. Langmuir. 2013. PMID: 23822157

7

Theoretical study on the factors controlling the stability of the borate complexes of ribose, arabinose, lyxose, and xylose.

Sponer JE, Sumpter BG, Leszczynski J, Sponer J, Fuentes-Cabrera M. Sponer JE, et al. Chemistry. 2008;14(32):9990-8. doi: 10.1002/chem.200800961. Chemistry. 2008. PMID: 18810746

8

Theoretical Study of the Initial Stages of Self-Assembly of a Carboxysome's Facet.

Mahalik JP, Brown KA, Cheng X, Fuentes-Cabrera M. Mahalik JP, et al. ACS Nano. 2016 Jun 28;10(6):5751-8. doi: 10.1021/acsnano.5b07805. Epub 2016 Mar 1. ACS Nano. 2016. PMID: 26906087

9

Size-expanded yDNA bases: an ab initio study.

Fuentes-Cabrera M, Sumpter BG, Lipkowski P, Wells JC. Fuentes-Cabrera M, et al. J Phys Chem B. 2006 Mar 30;110(12):6379-84. doi: 10.1021/jp057356n. J Phys Chem B. 2006. PMID: 16553457

10

Size-expanded DNA bases: an ab initio study of their structural and electronic properties.

Fuentes-Cabrera M, Sumpter BG, Wells JC. Fuentes-Cabrera M, et al. J Phys Chem B. 2005 Nov 10;109(44):21135-9. doi: 10.1021/jp055210i. J Phys Chem B. 2005. PMID: 16853737

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