A study of the solvent effect on the morphology of RDX crystal by molecular modeling method

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 · 5.7K citations

Engineering, Computational Chemistry, Chemistry +16

Molecular dynamics simulations at constant pressure and/or temperature

Hans Christian Andersen · The Journal of Chemical Physics · 1980 · 5.6K citations

Fixed Volume, Engineering, Fluid Mechanics +18

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

Felipe A. Bulat, Alejandro Toro‐Labbé, Tore Brinck et al. · Journal of Molecular Modeling · 2010 · 1.1K citations

Molecular Surfaces, Engineering, Physics +13

A new law of crystal morphology extending the law of Bravais

J. D. H. Donnay, David Harker · American Mineralogist · 1937 · 960 citations

Crystal Structure, Engineering, Physics +7

The attachment energy as a habit controlling factor

P. Hartman, P. Bennema · Journal of Crystal Growth · 1980 · 719 citations

Social Behavior, Affective Neuroscience, Psychology +5