20 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. Monte Carlo simulation of amorphous systems with the fragment self-consistent field method
7. The conformational space of selected aldo-pyrano-hexoses
8. The origin of the problems with the PM3 core repulsion function
9. Prediction of geometrical parameters for silatranes: an ab initio molecular orbital and density functional theory study
10. 1,3-Dipolare cycloadditionen von 6,7-dialkoxy-3,4-dihydroisochinolinium-Salzen
11. Wavenumbers and intensities of the fundamental vibrational modes of HNSi and DNSi from quantum-chemical computations
12. Flexible ab initio geometry of methylamine and its internal rotation
13. Vibrational properties of C 20 isomers, a semi-empirical study
14. Density functional conformational analysis of 1,2-ethanediol
15. Ab initio and DFT investigations of intramolecular hydrogen bonding in 1,2-ethanediol
16. Relative stability of 1C 4 and 4C 1 chair forms of β- d-glucose: a density functional study
17. Density functional and post Hartree-Fock equilibrium geometries, potential energy surface and vibrational frequencies for methylamine
18. Ab initio study of the energy hypersurface of uneven sulfuranes: Dissociation of HCl from Cl-SH (OH)-Cl
19. Density functional study of the equilibrium geometry and Si-O-Si potential energy curve of disiloxane
20. The failure of the MO-based theoretical explanations for bending of disiloxane
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