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Journal of Molecular Structure: THEOCHEM

Volumn 636, Issue 1-3, 2003, Pages 115-123

Theoretical study of the internal rotational barriers in some N-substituted nitropyrroles

(3) Chieh, Y C a Chen, P C a Chen, S C a

a HSIUPING INSTITUTE OF TECHNOLOGY (Taiwan)

Author keywords

Density functional theory; Internal rotational barriers; N substituted nitropyrroles; Torsional potential; V2 barrier

Indexed keywords

2 NITROPYRROLE; 3 NITROPYRROLE; N AMINO 2 NITROPYRROLE; N AMINO 3 NITROPYRROLE; N HYDROXYL 2 NITROPYRROLE; N HYDROXYL 3 NITROPYRROLE; N METHYL 2 NITROPYRROLE; N METHYL 3 NITROPYRROLE; N NITRO 2 NITROPYRROLE; N NITRO 3 NITROPYRROLE; NITROBENZENE DERIVATIVE; NITROGEN DIOXIDE; NITROPYRROLE DERIVATIVE; PYRROLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; HYDROGEN BOND; STEREOCHEMISTRY; THEORETICAL STUDY;

EID: 0142010600 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(03)00468-8 Document Type: Article

Times cited : (8)

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