Semiempirical molecular dynamics studies of C60/C70 fullerene oxides: C60O, C60O2 and C70O

A unified formulation of the constant temperature molecular dynamics methods

Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.3K citations · Full text

Engineering, Canonical Distribution, Rigorous Canonical Distribution +18

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.8K citations

Engineering, Simple Liquid, Liquid-liquid Flow +7

C60: Buckminsterfullerene

Harold W. Kroto, J. R. Heath, Sean C. O’Brien et al. · Nature · 1985 · 15.7K citations

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

Engineering, Altmetric Attention Score, Molecular Biology +18

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.1K citations

Engineering, Altmetric Attention Score, Computational Chemistry +19