Concepedia

ReaxFF simulations of hydrothermal treatment of lignite and its impact on chemical structures

Guang‐Yue Li, Junxia Ding, Hang Zhang, Hou Cai-xia, Feng Wang, Yingying Li, Yinghua Liang

Fuel · 2015 · 72 citations · 27 references

DOI

Concepts

References

27

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

, , +10

Advanced inorganic chemistry

Choice Reviews Online · 1999 · 14.3K citations

, , +7

P<scp>ACKMOL</scp>: A package for building initial configurations for molecular dynamics simulations

Ricardo Andrade, Ernesto G. Birgin, J. M. Martı́nez · Journal of Computational Chemistry · 2009 · 9.4K citations · Full text

, , +17

DREIDING: a generic force field for molecular simulations

Stephen L. Mayo, Barry D. Olafson, William A. Goddard · The Journal of Physical Chemistry · 1990 · 6.5K citations

, , +15

Dynamics of Confined Reactive Water in Smectite Clay–Zeolite Composites

Michael C. Pitman, Adri C. T. van Duin · Journal of the American Chemical Society · 2012 · 254 citations

, , +17