On the Water−Carbon Interaction for Use in Molecular Dynamics Simulations of Graphite and Carbon Nanotubes
Top Cited Papers
- 16 January 2003
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 107 (6) , 1345-1352
- https://doi.org/10.1021/jp0268112
Abstract
No abstract availableKeywords
This publication has 40 references indexed in Scilit:
- Molecular Dynamics Simulation of Contact Angles of Water Droplets in Carbon NanotubesNano Letters, 2001
- Water conduction through the hydrophobic channel of a carbon nanotubeNature, 2001
- Molecular dynamics simulations of cluster–surface collisions: Mechanisms for monomer emissionPhysical Chemistry Chemical Physics, 2001
- Nanotube Molecular Wires as Chemical SensorsScience, 2000
- Interactions of diatomic molecules with graphiteLangmuir, 1987
- A molecular dynamics simulation of a water model with intramolecular degrees of freedomMolecular Physics, 1987
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Ultrahigh-vacuum techniques in the measurement of contact angles. 5. LEED study of the effect of structure on the wettability of graphiteThe Journal of Physical Chemistry, 1980
- The State of Monolayers Adsorbed at the Interface Solid—Aqueous SolutionJournal of the American Chemical Society, 1940