A DFT/ab initio study of hydrogen bonding and conformational preference in model cellobiose analogs using B3LYP/6-311++G**
- 26 September 2002
- journal article
- Published by Elsevier in Carbohydrate Research
- Vol. 337 (20) , 1851-1859
- https://doi.org/10.1016/s0008-6215(02)00269-0
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- QM/MM distortion energies in di‐ and oligosaccharides complexed with proteins*International Journal of Quantum Chemistry, 2001
- HF/6-31G* energy surfaces for disaccharide analogsJournal of Computational Chemistry, 2000
- Conformational analysis of the anomeric forms of sophorose, laminarabiose, and cellobiose using MM3Carbohydrate Research, 1992
- Comparisons of rigid and relaxed conformational maps for cellobiose and maltoseCarbohydrate Research, 1989
- Rigid‐ and relaxed‐residue conformational analyses of cellobiose using the computer program mm2Biopolymers, 1988
- Conformational-energy calculations for oligosaccharides: a comparison of methods and a strategy of calculationCarbohydrate Research, 1986
- Nuclear overhauser effect and conformational states of cellobiose in aqueous solutionCarbohydrate Research, 1985
- Conformational states of cellobiose and maltose in solution: A comparison of calculated and experimental dataCarbohydrate Research, 1984
- Conformations of disaccharides by empirical force-field calculations: part II, β-cellobioseCarbohydrate Research, 1979
- Polysaccharide conformation. Part IX. Monte Carlo calculation of conformational energies for disaccharides and comparison with experimentJournal of the Chemical Society, Perkin Transactions 2, 1975