Concepedia

Hydrogen-bond relaxation dynamics: Resolving mysteries of water ice

Yongli Huang, Xi Zhang, Zengsheng Ma, Yichun Zhou, Weitao Zheng, Ji Zhou

Coordination Chemistry Reviews · 2014 · 174 citations · 359 references

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Concepts

References

359

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

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First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

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Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1997 · 14.4K citations · Full text

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Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems

Ryogo Kubo · Journal of the Physical Society of Japan · 1957 · 9.4K citations

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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 · 5.9K citations

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