Search Page
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
Search Results
4 results
Filters applied: . Clear all
Results are displayed in a computed author sort order.
The Results By Year timeline is not available.
Page 1
Characterization of the Coordination and Solvation Dynamics of Solvated Systems─Implications for the Analysis of Molecular Interactions in Solutions and Pure H2O.
J Chem Theory Comput. 2024 Apr 23;20(8):3028-3045. doi: 10.1021/acs.jctc.4c00162. Epub 2024 Apr 10.
J Chem Theory Comput. 2024.
PMID: 38595064
Free PMC article.
Storage and Diffusion of Carbon Dioxide in the Metal Organic Framework MOF-5─A Semi-empirical Molecular Dynamics Study.
Listyarini RV, Gamper J, Hofer TS.
Listyarini RV, et al.
J Phys Chem B. 2023 Nov 2;127(43):9378-9389. doi: 10.1021/acs.jpcb.3c04155. Epub 2023 Oct 19.
J Phys Chem B. 2023.
PMID: 37857343
Free PMC article.
Item in Clipboard
Beyond the Status Quo: Density Functional Tight Binding and Neural Network Potentials as a Versatile Simulation Strategy to Characterize Host-Guest Interactions in Metal- and Covalent Organic Frameworks.
Hofer TS, Listyarini RV, Hajdarevic E, Maier L, Purtscher FRS, Gamper J, Hanser F.
Hofer TS, et al. Among authors: listyarini rv.
J Phys Chem Lett. 2023 Jul 6;14(26):6018-6027. doi: 10.1021/acs.jpclett.3c00941. Epub 2023 Jun 23.
J Phys Chem Lett. 2023.
PMID: 37352552
Free PMC article.
Review.
Item in Clipboard
Benchmark of Density Functionals for the Calculation of the Redox Potential of Fe3+/Fe2+ Within Protein Coordination Shells.
Listyarini RV, Gesto DS, Paiva P, Ramos MJ, Fernandes PA.
Listyarini RV, et al.
Front Chem. 2019 Jun 5;7:391. doi: 10.3389/fchem.2019.00391. eCollection 2019.
Front Chem. 2019.
PMID: 31231631
Free PMC article.
Item in Clipboard
Cite
Cite