Concepedia

Coagulation mechanisms of humic acid in metal ions solution under different pH conditions: A molecular dynamics simulation

Yuejie Ai, Chaofeng Zhao, Lu Sun, Xiangke Wang, Lijun Liang

The Science of The Total Environment · 2019 · 148 citations · 39 references

DOI

Concepts

References

39

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

, , +17

Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

, , +17

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Berk Hess, Carsten Kutzner, David van der Spoel et al. · Journal of Chemical Theory and Computation · 2008 · 16K citations · Full text

, , +17

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

Sander Pronk, Szilárd Páll, Roland Schulz et al. · Bioinformatics · 2013 · 7.6K citations · Full text

, , +17

Humus Chemistry—Genesis, Composition, Reactions

J. W. Parsons · Soil Science · 1983 · 4.1K citations

, , +9