Sitha S - Search Results

1

Efficient discrimination of natural stereoisomers of chicoric acid, an HIV-1 integrase inhibitor.

Nobela O, Renslow RS, Thomas DG, Colby SM, Sitha S, Njobeh PB, du Preez L, Tugizimana F, Madala NE. Nobela O, et al. Among authors: sitha s. J Photochem Photobiol B. 2018 Dec;189:258-266. doi: 10.1016/j.jphotobiol.2018.10.025. Epub 2018 Nov 2. J Photochem Photobiol B. 2018. PMID: 30419521

2

Potential application of compliance constants in predicting the mass spectral fragmentation of metabolites.

Miriyala VM, Sitha S, Steenkamp PA, Madala NE. Miriyala VM, et al. Among authors: sitha s. Rapid Commun Mass Spectrom. 2015 Oct 30;29(20):1874-8. doi: 10.1002/rcm.7281. Rapid Commun Mass Spectrom. 2015. PMID: 26411508

3

Possible interstellar formation of glycine from the reaction of CH2=NH, CO and H2O: catalysis by extra water molecules through the hydrogen relay transport.

Nhlabatsi ZP, Bhasi P, Sitha S. Nhlabatsi ZP, et al. Among authors: sitha s. Phys Chem Chem Phys. 2016 Jan 7;18(1):375-81. doi: 10.1039/c5cp04987c. Epub 2015 Nov 30. Phys Chem Chem Phys. 2016. PMID: 26616741

4

Reaction between HN and SN: a possible channel for the interstellar formation of N2 and SH in the cold interstellar clouds.

Bhasi P, Nhlabatsi ZP, Sitha S. Bhasi P, et al. Among authors: sitha s. Phys Chem Chem Phys. 2015 Dec 28;17(48):32455-63. doi: 10.1039/c5cp05190h. Epub 2015 Nov 23. Phys Chem Chem Phys. 2015. PMID: 26594029

5

Possible interstellar formation of glycine through a concerted mechanism: a computational study on the reaction of CH2[double bond, length as m-dash]NH, CO2 and H2.

Nhlabatsi ZP, Bhasi P, Sitha S. Nhlabatsi ZP, et al. Among authors: sitha s. Phys Chem Chem Phys. 2016 Jul 27;18(30):20109-17. doi: 10.1039/c5cp07124k. Phys Chem Chem Phys. 2016. PMID: 27043445

6

Better performance of Hartree-Fock over DFT: a quantum mechanical investigation on pyridinium benzimidazolate types of zwitterions in the light of localization/delocalization issues.

Sitha S. Sitha S. J Mol Model. 2023 Sep 13;29(10):313. doi: 10.1007/s00894-023-05706-1. J Mol Model. 2023. PMID: 37704866 Free PMC article.

7

Hemiaminal route for the formation of interstellar glycine: a computational study.

Nhlabatsi ZP, Bhasi P, Sitha S. Nhlabatsi ZP, et al. Among authors: sitha s. J Mol Model. 2019 Nov 9;25(11):335. doi: 10.1007/s00894-019-4224-z. J Mol Model. 2019. PMID: 31705313

8

Expanding the applicability of electrostatic potentials to the realm of transition states.

Bhasi P, Nhlabatsi ZP, Sitha S. Bhasi P, et al. Among authors: sitha s. Phys Chem Chem Phys. 2016 May 14;18(18):13002-9. doi: 10.1039/c6cp01506a. Epub 2016 Apr 25. Phys Chem Chem Phys. 2016. PMID: 27108668

9

Reaction between NH₃ (X̌¹A₁) and CO (X¹Σ⁺): A Computational Insight into the Reaction Mechanism of Formamide (H₂N-CHO) Formation.

Darla N, Sitha S. Darla N, et al. Among authors: sitha s. J Phys Chem A. 2019 Oct 17;123(41):8921-8931. doi: 10.1021/acs.jpca.9b07255. Epub 2019 Oct 8. J Phys Chem A. 2019. PMID: 31557035

10

Formation of Formamide from HCN + H₂O: A Computational Study on the Roles of a Second H₂O as a Catalyst, as a Spectator, and as a Reactant.

Darla N, Sharma D, Sitha S. Darla N, et al. Among authors: sitha s. J Phys Chem A. 2020 Jan 9;124(1):165-175. doi: 10.1021/acs.jpca.9b09924. Epub 2019 Dec 20. J Phys Chem A. 2020. PMID: 31820987

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