Miguel Fuentes-Cabrera
Miguel Fuentes-Cabrera
Center for Nanophase Materials Science, Oak Ridge National Laboratory
Email verificata su ornl.gov
Titolo
Citata da
Citata da
Anno
Bridge structure for the graphene/Ni (111) system: a first principles study
M Fuentes-Cabrera, MI Baskes, AV Melechko, ML Simpson
Physical Review B 77 (3), 035405, 2008
1822008
Electronic structure and properties of isoreticular metal-organic frameworks: The case of -IRMOF1 (, Cd, Be, Mg, and Ca)
M Fuentes-Cabrera, DM Nicholson, BG Sumpter, M Widom
The Journal of chemical physics 123 (12), 124713, 2005
1502005
Dynamic defrosting on nanostructured superhydrophobic surfaces
JB Boreyko, BR Srijanto, TD Nguyen, C Vega, M Fuentes-Cabrera, ...
Langmuir 29 (30), 9516-9524, 2013
1392013
Characterization of the tunneling conductance across DNA bases
R Zikic, PS Krstić, XG Zhang, M Fuentes-Cabrera, J Wells, X Zhao
Physical Review E 74 (1), 011919, 2006
762006
First-principles transversal DNA conductance deconstructed
XG Zhang, PS Krstić, R Zikić, JC Wells, M Fuentes-Cabrera
Biophysical journal 91 (1), L04-L06, 2006
742006
Atomic‐Level Sculpting of Crystalline Oxides: Toward Bulk Nanofabrication with Single Atomic Plane Precision
S Jesse, Q He, AR Lupini, DN Leonard, MP Oxley, O Ovchinnikov, ...
Small 11 (44), 5895-5900, 2015
642015
The application of approximate density functionals to complex systems
OF Sankey, AA Demkov, W Windl, JH Fritsch, JP Lewis, ...
International journal of quantum chemistry 69 (3), 327-340, 1998
641998
Molecular dynamics study of the dewetting of copper on graphite and graphene: Implications for nanoscale self-assembly
M Fuentes-Cabrera, BH Rhodes, JD Fowlkes, A Lpez-Benzanilla, ...
Physical Review E 83 (4), 041603, 2011
572011
Size-expanded DNA bases: An ab initio study of their structural and electronic properties
M Fuentes-Cabrera, BG Sumpter, JC Wells
The Journal of Physical Chemistry B 109 (44), 21135-21139, 2005
572005
Local aromaticity in natural nucleobases and their size-expanded benzo-fused derivatives
O Huertas, J Poater, M Fuentes-Cabrera, M Orozco, M Sola, FJ Luque
The Journal of Physical Chemistry A 110 (44), 12249-12258, 2006
522006
Theoretical study on the structure, stability, and electronic properties of the guanine− Zn− cytosine base pair in M-DNA
M Fuentes-Cabrera, BG Sumpter, JE Šponer, J Šponer, L Petit, JC Wells
The Journal of Physical Chemistry B 111 (4), 870-879, 2007
512007
Size-expanded yDNA bases: An ab initio study
M Fuentes-Cabrera, BG Sumpter, P Lipkowski, JC Wells
The Journal of Physical Chemistry B 110 (12), 6379-6384, 2006
482006
Supramolecular Self-Assembly of π-Conjugated Hydrocarbons via 2D Cooperative CH/π Interaction
Q Li, C Han, SR Horton, M Fuentes-Cabrera, BG Sumpter, W Lu, ...
ACS nano 6 (1), 566-572, 2012
452012
Molecular dynamics simulations of the decamer in crystal environment: Comparison of atomic point-charge, extra-point, and polarizable force fields
J Baucom, T Transue, M Fuentes-Cabrera, JM Krahn, TA Darden, C Sagui
The Journal of chemical physics 121 (14), 6998-7008, 2004
432004
Formamide-based prebiotic synthesis of nucleobases: a kinetically accessible reaction route
JE Šponer, A Mládek, J Šponer, M Fuentes-Cabrera
The Journal of Physical Chemistry A 116 (1), 720-726, 2012
372012
Evaluation of functionalized isoreticular metal organic frameworks (IRMOFs) as smart nanoporous preconcentrators of RDX
R Xiong, K Odbadrakh, A Michalkova, JP Luna, T Petrova, DJ Keffer, ...
Sensors and Actuators B: Chemical 148 (2), 459-468, 2010
362010
Theoretical study on the factors controlling the stability of the borate complexes of ribose, arabinose, lyxose, and xylose
JE Šponer, BG Sumpter, J Leszczynski, J Šponer, M Fuentes‐Cabrera
Chemistry–A European Journal 14 (32), 9990-9998, 2008
352008
Ab initio study of the vibrational and electronic properties of CdGa2S4 and CdGa2Se4 under pressure
M Fuentes-Cabrera
Journal of Physics: Condensed Matter 13 (45), 10117, 2001
322001
Prebiotic routes to nucleosides: a quantum chemical insight into the energetics of the multistep reaction pathways
JE Šponer, J Šponer, M Fuentes‐Cabrera
Chemistry–A European Journal 17 (3), 847-854, 2011
312011
Molecular simulations of adsorption and diffusion of RDX in IRMOF-1
R Xiong, JT Fern, DJ Keffer, M Fuentes-Cabrera, DM Nicholson
Molecular Simulation 35 (10-11), 910-919, 2009
312009
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