2012 journal article

Supramolecular Self-Assembly of pi-Conjugated Hydrocarbons via 2D Cooperative CH/pi Interaction

ACS NANO, 6(1), 566–572.

By: Q. Li*, C. Han n, S. Horton*, M. Fuentes-Cabrera*, B. Sumpter*, W. Lu n, J. Bernholc n, P. Maksymovych*, M. Pan*

author keywords: phenylacetylene; self-assembly; STM; supramolecule; hydrogen bonding; magic cluster
MeSH headings : Carbon / chemistry; Computer Simulation; Hydrogen / chemistry; Hydrogen Bonding; Macromolecular Substances / chemistry; Models, Chemical; Models, Molecular; Nanostructures / chemistry; Nanostructures / ultrastructure; Particle Size; Surface Properties
TL;DR: It is shown that functionalizing a benzene molecule with an ethyne group introduces attractive interactions in a 2D geometry, which would otherwise be dominated by intermolecular repulsion, and enables supramolecular self-assembly. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2004 journal article

Molecular dynamics simulations of the d(CCAACGTTGG)(2) decamer in crystal environment: Comparison of atomic point-charge, extra-point, and polarizable force fields

JOURNAL OF CHEMICAL PHYSICS, 121(14), 6998–7008.

By: J. Baucom n, T. Transue*, M. Fuentes-Cabrera n, J. Krahn*, T. Darden* & C. Sagui n

MeSH headings : Computer Simulation; Crystallization; Nucleic Acid Conformation; Oligodeoxyribonucleotides / chemistry; Sequence Analysis, DNA; Thermodynamics
TL;DR: The polarizable force field provides the most accurate representation of the crystal structure and the sequence-dependent effects observed in the experiment, and points out the need of the inclusion of polarization for accurate descriptions of DNA. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

2001 journal article

Ab initio study of the vibrational and electronic properties of CdGa2S4 and CdGa2Se4 under pressure


By: M. Fuentes-Cabrera*

UN Sustainable Development Goal Categories
Source: Web Of Science
Added: August 6, 2018

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