Theoretical study of the inhibitive properties of a group of benzimidazoles

International Journal of Quantum Chemistry

Volumn 110, Issue 9, 2010, Pages 1772-1777

  Li, Da Zhi ^a   Zhang, Shi Guo ^a   Bian, He ^b  

^a BINZHOU UNIVERSITY   (China)

^b CHINA UNIVERSITY OF PETROLEUM   (China)

Author keywords

Benzimidazoles; Density functional theory; Inhibitive efficiency; Orbital Analyses

Indexed keywords

BASE SET; BENZENE RING; BENZIMIDAZOLES; BENZYL CHLORIDES; HIGHEST OCCUPIED MOLECULAR ORBITAL; INHIBITION EFFICIENCY; INHIBITIVE PROPERTIES; ORBITAL ANALYSIS; PROTONATED; PROTONATED MOLECULES; REACTION ACTIVITY; REACTIVE SITE; THEORETICAL STUDY; VACANT ORBITALS;

ATOMS; BENZENE; CHLORINE COMPOUNDS; CORROSION INHIBITORS; MOLECULAR ORBITALS; MOLECULES; PROTONATION;

DENSITY FUNCTIONAL THEORY;

EID: 77953381932     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22329     Document Type: Article

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