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Structural Chemistry

Volumn 24, Issue 1, 2013, Pages 165-170

Ab initio study of NH3 and H2O adsorption on pristine and Na-doped MgO nanotubes

(3) Beheshtian, Javad a Ahmadi Peyghan, Ali b Bagheri, Zargham b

a SHAHID RAJAEE TEACHER TRAINING UNIVERSITY (Iran)

b ISLAMIC AZAD UNIVERSITY (Iran)

Author keywords

Ammonia; Computational study; DFT; DOS; Water; X3LYP

Indexed keywords

EID: 84873881780 PISSN: 10400400 EISSN: None Source Type: Journal
DOI: 10.1007/s11224-012-0047-6 Document Type: Article

Times cited : (85)

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