Nuclear quantum effects in water exchange around lithium and fluoride ions

Journal of Chemical Physics

Volumn 142, Issue 6, 2015, Pages

  Wilkins, David M ^a   Manolopoulos, David E ^a   Dang, Liem X ^b  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FLUORINE COMPOUNDS; HYDRATION; IONS; MOLECULAR DYNAMICS; MOLECULES; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS; QUANTUM THEORY; REACTION KINETICS;

CLASSICAL SIMULATION; COULOMBIC INTERACTIONS; FIRST HYDRATION SHELL; MEAN RESIDENCE TIME; MOLECULAR DYNAMICS SIMULATIONS; NUCLEAR QUANTUM EFFECTS; QUANTUM FLUCTUATION; QUANTUM SIMULATIONS;

LITHIUM;

FLUORIDE; LITHIUM; WATER;

CHEMISTRY; CONFORMATION; KINETICS; MOLECULAR DYNAMICS; QUANTUM THEORY;

FLUORIDES; KINETICS; LITHIUM; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; WATER;

EID: 84923808026     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4907554     Document Type: Article

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