First-principles study of the nature of small nickel sulfide particles

Journal of Computational Methods in Sciences and Engineering

Volumn 9, Issue 4-6, 2009, Pages 301-312

  Aray, Yosslen ^a   Vidal, Alba B ^a   Coll, David Santiago ^a   Rodriguez, Jesus ^a   Vega, David ^b  

^a NIC ^*  (Venezuela)

^b UNIVERSIDAD DE CARABOBO   (Venezuela)

Author keywords

Atoms in molecules; Density functional theory; Electrostatic potential; First principles atomic thermodynamic; Hydrodesulfurization; Nickel sulfide particles

Indexed keywords

ATOMISTIC THERMODYNAMICS; ATOMS IN MOLECULES; ATOMS IN MOLECULES THEORY; ELECTROSTATIC POTENTIAL; ELECTROSTATIC POTENTIALS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; LEWIS ACIDITY; NICKEL SULFIDE; NICKEL SULFIDE PARTICLES; NON-SUPPORTED; SMALL PARTICLES; WORKING CONDITIONS;

ATOMS; ELECTROSTATICS; HYDRODESULFURIZATION; MOLECULES; NICKEL; THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY;

EID: 78650618848     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/JCM-2009-0305     Document Type: Article

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