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Structure and Dynamics of Liquid Water from ab Initio Mol... | ResearchHub
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Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics—Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections
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Authors
I‐Chun Lin
3 more
I‐Chun Lin
•
Ivano Tavernelli
1 more
•
Ursula Röthlisberger
Published
May 29, 2012
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Journal
Journal of Chemical Theory and Computation
Topics
Computer Science
Chemical Physics
Physics
Quantum Mechanics
Materials Chemistry
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DOI
10.1021/ct3001848
