Sappidi P - Search Results

1

Structure, dynamic, and free energy analyses of 5-hydroxymethylfurfural in aprotic solvents and imidazolium ionic liquids using all-atom molecular dynamics simulations.

Jha S, Sappidi P. Jha S, et al. Among authors: sappidi p. Phys Chem Chem Phys. 2024 Nov 20;26(45):28417-28430. doi: 10.1039/d4cp02914c. Phys Chem Chem Phys. 2024. PMID: 39503626

2

Molecular Dynamics Simulation Study on the Structural and Thermodynamic Analysis of Oxidized and Unoxidized Forms of Polyaniline.

Gandhi CD, Sappidi P. Gandhi CD, et al. Among authors: sappidi p. J Phys Chem B. 2024 Oct 31;128(43):10735-10748. doi: 10.1021/acs.jpcb.4c04832. Epub 2024 Oct 23. J Phys Chem B. 2024. PMID: 39440927

3

Molecular Insights of 5-Hydroxymethylfurfural in a Mixture of Ionic Liquids and Alkylated Phenolic Solvents.

Jha S, Sappidi P. Jha S, et al. Among authors: sappidi p. Chemphyschem. 2024 Oct 1;25(19):e202400437. doi: 10.1002/cphc.202400437. Epub 2024 Sep 11. Chemphyschem. 2024. PMID: 39023046

4

Molecular dynamics simulation study of sodium ion structure & dynamics in water in ionic liquids electrolytes using 1-butyl-3-methyl imidazolium tetrafluoroborate and 1-butyl-3-methyl imidazolium hexafluorophosphate.

Gupta S, Gupta U, Sappidi P. Gupta S, et al. Among authors: sappidi p. J Mol Graph Model. 2024 Jul;130:108775. doi: 10.1016/j.jmgm.2024.108775. Epub 2024 Apr 16. J Mol Graph Model. 2024. PMID: 38642499

5

Structure and Conformational Properties of a Short Polyaniline Chain in a Mixture of Water and Ionic Liquid [1-Ethyl-3-methyl-imidazolium][bistriflimide] Investigated by All-Atom Molecular Dynamics Simulations.

Gandhi CD, Sappidi P. Gandhi CD, et al. Among authors: sappidi p. J Phys Chem B. 2023 Sep 21;127(37):8019-8031. doi: 10.1021/acs.jpcb.3c03009. Epub 2023 Sep 8. J Phys Chem B. 2023. PMID: 37683285

6

Molecular simulations of understanding the Na⁺ ion structure, dynamic and thermodynamic behavior in ionic liquids: Butyl ammonium hydrogen bisulfate and tri-butyl ammonium hydrogen bisulfate.

Sappidi P, Gupta PK. Sappidi P, et al. J Mol Graph Model. 2023 Dec;125:108610. doi: 10.1016/j.jmgm.2023.108610. Epub 2023 Aug 23. J Mol Graph Model. 2023. PMID: 37657331

7

Extraction of Gd³⁺ and UO₂²⁺ Ions Using Polystyrene Grafted Dibenzo Crown Ether (DB18C6) with Octanol and Nitrobenzene: A Molecular Dynamics Study.

Sappidi P, Namsani S, Ali SM, Singh JK. Sappidi P, et al. J Phys Chem B. 2018 Jan 25;122(3):1334-1344. doi: 10.1021/acs.jpcb.7b11384. Epub 2018 Jan 16. J Phys Chem B. 2018. PMID: 29281280

8

Factors responsible for the aggregation behavior of hydrophobic polyelectrolyte PEA in aqueous solution studied by molecular dynamics simulations.

Sappidi P, Natarajan U. Sappidi P, et al. J Mol Graph Model. 2017 Aug;75:306-315. doi: 10.1016/j.jmgm.2017.04.007. Epub 2017 Apr 27. J Mol Graph Model. 2017. PMID: 28623782

9

Effect of salt valency and concentration on structure and thermodynamic behavior of anionic polyelectrolyte Na⁺-polyethacrylate aqueous solution.

Sappidi P, Natarajan U. Sappidi P, et al. J Mol Model. 2016 Nov;22(11):274. doi: 10.1007/s00894-016-3144-4. Epub 2016 Oct 26. J Mol Model. 2016. PMID: 27783231

10

Polyelectrolyte conformational transition in aqueous solvent mixture influenced by hydrophobic interactions and hydrogen bonding effects: PAA-water-ethanol.

Sappidi P, Natarajan U. Sappidi P, et al. J Mol Graph Model. 2016 Mar;64:60-74. doi: 10.1016/j.jmgm.2015.12.004. Epub 2015 Dec 23. J Mol Graph Model. 2016. PMID: 26803232

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

10 results

Search Page

Filters