Ponnadurai Ramasami
Orcid: 0000-0002-7272-3561
According to our database1,
Ponnadurai Ramasami
authored at least 18 papers
between 2006 and 2024.
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Bibliography
2024
Empirical assessment of COVID-19 infections and information diffusion: a data science approach.
Int. J. Medical Eng. Informatics, 2024
2022
Decoding the reaction mechanism of the cyclocondensation of ethyl acetate2-oxo-2-(4-oxo-4H-pyrido [1.2-a] pyrimidin-3-yl) polyazaheterocycle and ethylenediamine using bond evolution theory.
J. Comput. Chem., 2022
2020
Activation Strain Analyses of Counterion and Solvent Effects on the Ion-Pair SN2 Reaction of and CH3Cl.
J. Comput. Chem., 2020
2019
ExcelAutomat 1.3: Fragment analysis based on the distortion/interaction-activation strain model.
J. Comput. Chem., 2019
2017
ExcelAutomat: a tool for systematic processing of files as applied to quantum chemical calculations.
J. Comput. Aided Mol. Des., 2017
2, 4-Ditellurouracil and its 5-fluoro derivative: Theoretical investigations of structural, energetics and ADME parameters.
Comput. Biol. Chem., 2017
2016
Proceedings of the Virtual Conference on Computational Science (VCCC-2015): Special Issue of the Journal of Computational Science.
J. Comput. Sci., 2016
2015
J. Comput. Sci., 2015
2014
Preface for the Special Issue of the Journal of Computational Science (Proceedings of the Virtual Conference on Computational Chemistry, VCCC-2013).
J. Comput. Sci., 2014
2013
First Principle Attempt towards the Thermodynamic Stability of Telluroformaldehyde and its Heavier Analogs: H<sub>(2-n)</sub>X<sub>(n)</sub>A=Te (X=H, F, Cl and Br; A=C, Si and Ge; n=0-2).
Proceedings of the International Conference on Computational Science, 2013
TD-DFT Study of Excited-State Intramolecular Proton Transfer (ESIPT) of 2-(1, 3-benzothiazol-2-yl)-5-(N, N-diethylamino)Phenol with Benzoxazole and Benzimidazole Analogues.
Proceedings of the International Conference on Computational Science, 2013
2010
First principle study of the trans and gauche rotamers of 1, 2dihalogenodisilanes (XSiH<sub>2</sub>SiH<sub>2</sub>X; X=F, Cl, Br and I) in vacuum.
Proceedings of the International Conference on Computational Science, 2010
2009
First Principle Study of the Anti- and Syn-Conformers of Thiophene-2-Carbonyl Fluoride and Selenophene-2-Carbonyl Fluoride in the Gas and Solution Phases.
Proceedings of the Computational Science, 2009
2008
First Principle Gas Phase Study of the Trans and Gauche Rotamers of 1, 2-Diisocyanoethane, 1, 2-Diisocyanodisilane and Isocyano(isocyanomethyl)silane.
Proceedings of the Computational Science, 2008
Proceedings of the Computational Science, 2008
2007
Theoretical Gas Phase Study of the Gauche and Trans Conformers of 1-Bromo-2-Chloroethane and Solvent Effects.
Proceedings of the Computational Science - ICCS 2007, 7th International Conference, Beijing, China, May 27, 2007
2006
Theoretical Gas Phase Study of the Gauche and Trans Conformers of 1-Fluoro-2-Haloethanes CH<sub>2</sub>F-CH<sub>2</sub>X (X=Cl, Br, I) by Ab Initio and Density Functional Methods: Absence of Gauche Effect.
Proceedings of the Computational Science, 2006