Inner shell definition and absolute hydration free energy of K +(aq) on the basis of quasi-chemical theory and ab initio molecular dynamics

Physical Chemistry Chemical Physics

Volumn 6, Issue 8, 2004, Pages 1966-1969

  Rempe, Susan B ^a   Asthagiri, D ^b   Pratt, Lawrence R ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

POTASSIUM; POTASSIUM HYDROXIDE; WATER;

AB INITIO CALCULATION; CHEMICAL STRUCTURE; CHEMISTRY; CONFERENCE PAPER; DILUTION; ENERGY; EXPERIMENT; HYDRATION; MOLECULAR DYNAMICS; MOLECULE; PREDICTION; SIMULATION; SOLVATION; THEORY;

EID: 2342608969     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b313756b     Document Type: Conference Paper

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