Works (3)
Updated: July 14th, 2023 21:18
2011 journal article
Supramolecular Self-Assembly of pi-Conjugated Hydrocarbons via 2D Cooperative CH/pi Interaction
ACS NANO, 6(1), 566–572.
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.
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
3. Good Health and Well-being
(Web of Science)
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
JOURNAL OF PHYSICS-CONDENSED MATTER, 13(45), 10117–10124.
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Source: Web Of Science
Added: August 6, 2018