18 results on '"Csonka, Gábor"'
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2. Comparison of different force fields for the study of disaccharides
3. Fluorinated cellobiose and maltose as stand-ins for energy surface calculations
4. Organizing atomic partial charges into a database
5. New development in RECEP (rapid estimation of correlation energy from partial charges) method
6. Flexible ab initio geometry of methylamine and its internal rotation
7. The conformational space of selected aldo-pyrano-hexoses
8. The origin of the problems with the PM3 core repulsion function
9. Relative stability of 1C4 and 4C1 chair forms of β-d-glucose: a density functional study
10. Prediction of geometrical parameters for silatranes: an ab initio molecular orbital and density functional theory study
11. Vibrational properties of C20 isomers, a semi-empirical study
12. Ab initio and DFT investigations of intramolecular hydrogen bonding in 1,2-ethanediol
13. Density functional conformational analysis of 1,2-ethanediol
14. The failure of the MO-based theoretical explanations for bending of disiloxane
15. Density functional and post Hartree-Fock equilibrium geometries, potential energy surface and vibrational frequencies for methylamine
16. Ab initio study of the energy hypersurface of uneven sulfuranes
17. Density functional study of the equilibrium geometry and Si-O-Si potential energy curve of disiloxane
18. 1,3-Dipolare cycloadditionen von 6,7-dialkoxy-3,4-dihydroisochinolinium-Salzen
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