Quantum fluctuations and isotope effects in ab initio descriptions of water

Journal of Chemical Physics

Volumn 141, Issue 10, 2014, Pages

  Wang, Lu ^a   Ceriotti, Michele ^b   Markland, Thomas E ^a  

^a STANFORD UNIVERSITY   (United States)

^b EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER MOBILITY; FREE ENERGY; HYDROGEN BONDS; ISOTOPES; QUANTUM ELECTRONICS; QUANTUM THEORY;

EXCHANGE AND CORRELATION; FRACTIONATION RATIO; HYDROGEN BONDED SYSTEMS; ISOTOPE SUBSTITUTION; MICROSCOPIC BEHAVIOR; NUCLEAR QUANTUM EFFECTS; QUANTUM FLUCTUATION; QUANTUM MECHANICAL;

WATER TREATMENT;

EID: 84921304835     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4894287     Document Type: Article

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