Electronic structure and reactivity of guanylthiourea: A quantum chemical study

Journal of Computational Chemistry

Volumn 31, Issue 6, 2010, Pages 1259-1267

  Mehdi, Ahmed ^a   Adane, Legesse ^a   Patel, Dhilon S ^a   Bharatam, Prasad V ^a  

^a NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH NIPER   (India)

Author keywords

Electronic structure; Guanylthiourea; Quantum chemical analysis; Reaction mechanism; Tautomerism

Indexed keywords

ALKYL CATIONS; ALKYLATION REACTIONS; AQUEOUS MEDIUM; AQUEOUS PHASE; BIMOLECULAR PROCESS; BOND ROTATIONS; GASPHASE; GUANYLTHIOUREA; H-BONDS; INTERCONVERSIONS; PROTONATION SITE; QUANTUM CHEMICAL ANALYSIS; QUANTUM CHEMICAL STUDIES; QUANTUM-CHEMICAL METHODS; REACTION MECHANISM; REACTIVE INTERMEDIATE; SULFUR ATOMS;

ALKYLATION; ATOMS; CHEMICALS; COMPLEXATION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GASES; HYDROCARBONS; ISOMERS; PROTONATION; QUANTUM CHEMISTRY; ROTATION; SULFUR;

CHEMICAL ANALYSIS;

GUTIMINE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ISOMERISM; QUANTUM THEORY; THERMODYNAMICS;

GUANYLTHIOUREA; ISOMERISM; MODELS, CHEMICAL; QUANTUM THEORY; THERMODYNAMICS;

EID: 77950550009     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21412     Document Type: Article

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