Effect of temperature and functionalization on the interfacial properties of CNT reinforced nanocomposites

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

Natural Sciences, Chemistry, Physics +17

COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

Huai Sun · The Journal of Physical Chemistry B · 1998 · 5.9K citations

Natural Sciences, Chemistry, Physics +17

Molecular dynamics simulations at constant pressure and/or temperature

Hans Christian Andersen · The Journal of Chemical Physics · 1980 · 5.7K citations

Natural Sciences, Physics, Fluid Dynamics +7

Nanocomposites in context

Erik T. Thostenson, Chunyu Li, T CHOU · Composites Science and Technology · 2004 · 1.7K citations

Covalent Surface Chemistry of Single‐Walled Carbon Nanotubes

Sourish Banerjee, Tirandai Hemraj‐Benny, S.S. Wong · Advanced Materials · 2005 · 1.1K citations

Natural Sciences, Chemistry, Materials Science +17