Modeling ring puckering in strained systems: Application to 3,6-anhydroglycosides

Different conformations of methyl 3,6-anhydroglycosides with the β-D-galacto, α-D-galacto, and β-D-gluco configurations were studied by molecular mechanics (using the program MM3) and by quantum mechanical (QM) methods at the HF/- and B3LYP/6-31+G** levels, with and without solvent emulation. Using...

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Detalles Bibliográficos
Autores principales:	Navarro, D.A., Stortz, C.A.
Formato:	JOUR
Materias:	3,6-Anhydrogalactose Anhydro sugars DFT MM3 Puckering Conformations Glycols Energy differences Molecular mechanics Quantum theory beta galactosidase beta glucosidase glycoside solvent analytical parameters article calculation carbohydrate analysis chair computer program conformation data analysis energy molecular mechanics molecular model plots and curves priority journal quantum chemistry quantum mechanics Carbohydrate Conformation Computer Simulation Galactose Glycosides Thermodynamics
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00086215_v340_n12_p2030_Navarro
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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