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Chemical Physics Letters

Volumn 503, Issue 1-3, 2011, Pages 12-17

Theoretical study of H2 dissociation on a ZrO2 cluster

(3) Syzgantseva, Olga a,b Calatayud, Monica a,b Minot, Christian a,b

a SORBONNE UNIVERSITÉ (France)

b LABORATOIRE DE CHIMIE THÉORIQUE (France)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CCSD; COMPUTATIONAL COSTS; DIRECT TRANSFER; FUNCTIONALS; H-BONDS; HYDROXYL GROUPS; THEORETICAL STUDY; TRIPLET STATE; TWO-STEP PROCESS; WATER FORMATION;

ZIRCONIUM ALLOYS;

ZIRCONIUM;

EID: 79751538982 PISSN: 00092614 EISSN: None Source Type: Journal
DOI: 10.1016/j.cplett.2010.11.005 Document Type: Article

Times cited : (10)

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