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A Quantum Chemical Study of Various Intramolecular Hydrogen Bonds in 4-Amino-3-Pentene-2-Thial
B3LYP and MP2 methods with the most popular basis set, 6-311++G( d,p ) are applied to optimize the equilibrium conformers of 4-amino-3-pentene-2-thial....
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Computer-aided generation of IUPAC nomenclatures for acyclic compounds
The present paper describes a computer-aided IUPAC nomenclature generation system for acyclic compounds. The program performs sequentially to...