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Volumn 479, Issue 1-3, 2001, Pages 255-272

CO/MgO(0 0 1) at different CO coverages: A periodic ab initio Hartree-Fock and B3-LYP study

Author keywords

Ab initio quantum chemical methods and calculations; Carbon monoxide; Computer simulations; Magnesium oxides; Physical adsorption

Indexed keywords

BINDING ENERGY; CARBON DIOXIDE; CHARGE TRANSFER; COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; ELECTRIC FIELD EFFECTS; ELECTROSTATICS; GAS ADSORPTION; MAGNESIA; MATHEMATICAL MODELS; POLARIZATION; QUANTUM THEORY; SODIUM; SURFACE PHENOMENA;

EID: 0035918453     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(01)00986-4     Document Type: Article
Times cited : (43)

References (73)
  • 41
    • 0004766034 scopus 로고    scopus 로고


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.