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Journal of Chemical Physics

Volumn 117, Issue 1, 2002, Pages 226-237

Reactivity of Ti(IV)sites in Ti-zeolites: An embedded cluster approach

(4) Damin, Alessandro a Bordiga, Silvia a Zecchina, Adriano a Lamberti, Carlo a

a UNIVERSITY OF TURIN (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; AMMONIA; BINDING ENERGY; CHEMICAL BONDS; CRYSTAL ATOMIC STRUCTURE; DECOMPOSITION; ELECTRONIC STRUCTURE; HAMILTONIANS; HYDRATION; HYDROGEN PEROXIDE; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; OPTIMIZATION; PERTURBATION TECHNIQUES; TITANIUM COMPOUNDS; WATER;

BASIS SET SUPERPOSITION ERRORS (BSSE);

ZEOLITES;

EID: 0036639508 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1481378 Document Type: Article

Times cited : (70)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.