메뉴 건너뛰기




Volumn 91-92, Issue , 2004, Pages 137-141

Epoxidation of cyclohexene catalyzed by manganese porphyrins: Ab initio DFT studies

Author keywords

Cyclohexene; DFT calculations; Manganese porphyrin; Oxo group

Indexed keywords

APPROXIMATION THEORY; CHEMISORPTION; ELECTRONIC PROPERTIES; EPOXY RESINS; MANGANESE COMPOUNDS; OXIDATION; PORPHYRINS; PROBABILITY DENSITY FUNCTION; SOLVENTS;

EID: 2942694239     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2004.03.022     Document Type: Conference Paper
Times cited : (9)

References (10)
  • 10
    • 2942645970 scopus 로고    scopus 로고
    • note
    • DFT-LCGTO program package deMon was developed by A. St.-Amant, D. Salahub, University of Montreal, Here a modified version (StoBe) with extensions by L.G.M. Petterson and K. Hermann was used.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.