Density functional theoretical study on the hydricities of transition metal hydride complexes in water

Bulletin of the Korean Chemical Society

Volumn 30, Issue 12, 2009, Pages 2927-2929

  Kang, Suk Bok ^a   Cho, Young Seuk ^b   Hwang, Sungu ^b  

^a Yeungnam University   (South Korea)

^b Pusan National University   (South Korea)

Author keywords

DFT; Hydricity; Transition metal hydride complexes

Indexed keywords

AQUEOUS SOLUTIONS; BOUND LIGANDS; CALCULATION SCHEME; CATALYTIC PROCESS; DENSITY FUNCTIONALS; DONOR ABILITY; METAL HYDRIDES; METAL HYDROGEN BONDS; POISSON-BOLTZMANN; SOLVENT MODEL; THEORETICAL STUDY; TRANSITION METAL HYDRIDES; WATER MOLECULE;

GRAFTING (CHEMICAL); HYDRIDES; HYDROGEN BONDS; LITHIUM BATTERIES; METAL COMPLEXES; PROBABILITY DENSITY FUNCTION; SYNTHESIS (CHEMICAL); TRANSITION METAL COMPOUNDS; TRANSITION METALS;

COMPLEXATION;

EID: 76649142735     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2009.30.12.2927     Document Type: Article

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