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Surface Science

Volumn 401, Issue 3, 1998, Pages 312-321

Chemisorption of OCN on Ni(100) - An ab initio study

(2) Yang, Hong a Whitten, Jerry L a

a NORTH CAROLINA STATE UNIVERSITY (United States)

Author keywords

Ab initio quantum chemical methods and calculations; Chemisorption; Clusters; Cyanates; Nickel

Indexed keywords

ADSORPTION; CALCULATIONS; CHEMICAL BONDS; CYANIDES; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; NICKEL; QUANTUM THEORY; SURFACE PHENOMENA;

AB INITIO EMBEDDING THEORY; AB INITIO QUANTUM CHEMICAL METHODS; ADSORPTION ENERGY; CYANATES;

CHEMISORPTION;

EID: 0032050562 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(97)00905-9 Document Type: Article

Times cited : (24)

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