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Volumn 111, Issue 14, 2011, Pages 3654-3663

Theoretical and experimental studies on electronic structure, cocrystallization, and intramolecular proton transfer of two tautomers: (E)-2-{[2-(hydroxymethyl)phenylimino]methyl}-5-methoxyphenol and (Z)-6-{[2-(hydroxymethyl)phenylamino] methylene}-3-methoxy-cyclohexa-2, 4-dienone

Author keywords

density functional theory (DFT); keto enol tautomerism; molecular electrostatic potential (MEP); natural bond orbitals (NBO); X ray crystal structure

Indexed keywords

CHEMICAL BONDS; COMPLEXATION; COMPUTATION THEORY; CONTINUUM MECHANICS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; ELECTROSTATICS; GEOMETRY; INFRARED SPECTROSCOPY; METHANOL; MOLECULAR INTERACTIONS; MOLECULAR ORBITALS; MOLECULES; SINGLE CRYSTALS; X RAYS;

EID: 79952185614     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22789     Document Type: Article
Times cited : (22)

References (39)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.