Concepedia

Potential of Borage flower aqueous extract as an environmentally sustainable corrosion inhibitor for acid corrosion of mild steel: Electrochemical and theoretical studies

Ali Dehghani, Ghasem Bahlakeh, Bahram Ramezanzadeh, Mohammad Ramezanzadeh

Journal of Molecular Liquids · 2019 · 277 citations · 73 references

DOI

Concepts

References

73

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

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Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 61.8K citations · Full text

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Nosé–Hoover chains: The canonical ensemble via continuous dynamics

Glenn Martyna, Michael L. Klein, Mark E. Tuckerman · The Journal of Chemical Physics · 1992 · 5.5K citations

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Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Curt M. Breneman, Kenneth B. Wiberg · Journal of Computational Chemistry · 1990 · 4.8K citations

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A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters

William C. Swope, Hans Christian Andersen, Peter H. Berens et al. · The Journal of Chemical Physics · 1982 · 3.9K citations

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