Ion induced dipole clusters Hn - (3 ≥ n-odd ≥ 13): Density functional theory calculations of structure and energy

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 12445-12450

  Huang, Lulu ^a   Matta, Chérif F ^b,c   Massa, Lou ^d  

^a NAVAL RESEARCH LABORATORY   (United States)

^b MOUNT SAINT VINCENT UNIVERSITY   (Canada)

^c DALHOUSIE UNIVERSITY   (Canada)

^d CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC FUNCTION; B3LYP CALCULATIONS; B3LYP METHOD; BOND PATHS; CENTRAL POINT; CONFIGURATION-INTERACTION CALCULATIONS; DENSITY FUNCTION THEORY; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON PAIR; ENERGY SURFACE; EQUILIBRIUM GEOMETRIES; HARTREE-FOCK CALCULATIONS; HYDROGEN MOLECULAR ION; INDUCED DIPOLES; MINIMUM GEOMETRY; MOLECULAR FORMULA; QUANTUM THEORY OF ATOMS IN MOLECULES; REAL VALUES; STABILIZATION ENERGY; TOTAL ENERGY; VALENCE SHELL ELECTRON PAIR REPULSION; VIBRATION FREQUENCY;

BINDING ENERGY; GEOMETRY; IONS; MOLECULES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 80053918963     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp203913n     Document Type: Article

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