Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions

Journal of Chemical Physics

Volumn 144, Issue 11, 2016, Pages

  Wang, Yimin ^a   Bowman, Joel M ^a   Kamarchik, Eugene ^b  

^a EMORY UNIVERSITY   (United States)

^b Quantum Pomegranate   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; COMPUTATIONAL EFFICIENCY; DIPOLE MOMENT; NUMERICAL METHODS; POTENTIAL ENERGY;

AB INITIO POTENTIALS; DIPOLE MOMENT SURFACES; DISSOCIATION ENERGIES; EQUILIBRIUM STRUCTURES; ION-DIPOLE INTERACTIONS; NON-LINEAR LEAST-SQUARE FITS; PERMUTATIONALLY INVARIANT; TWO-BODY INTERACTIONS;

IONS;

EID: 84962272196     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4943580     Document Type: Article

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