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
Filters
Results by year
Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
---|---|
2019 | 1 |
2020 | 2 |
2021 | 4 |
2022 | 1 |
2024 | 0 |
Search Results
7 results
Results by year
Filters applied: . Clear all
It looks like you are searching for an author.
Results are currently sorted by Best Match. To see the newest results first,
change the sort order to Most Recent.
Page 1
Ab Initio QM/MM Simulation of Ferrocene Homogeneous Electron-Transfer Reaction.
J Phys Chem A. 2021 Jan 14;125(1):25-33. doi: 10.1021/acs.jpca.0c07540. Epub 2020 Dec 31.
J Phys Chem A. 2021.
PMID: 33382268
Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates.
de Freitas Martins E, Troiano Feliciano G, Hendrik Scheicher R, Reily Rocha A.
de Freitas Martins E, et al. Among authors: troiano feliciano g.
Molecules. 2019 Mar 8;24(5):951. doi: 10.3390/molecules24050951.
Molecules. 2019.
PMID: 30857133
Free PMC article.
Item in Clipboard
A multiscale approach for electronic transport simulation of carbon nanostructures in aqueous solvent.
de Freitas Martins E, Scheicher RH, Rocha AR, Feliciano GT.
de Freitas Martins E, et al. Among authors: feliciano gt.
Phys Chem Chem Phys. 2022 Oct 12;24(39):24404-24412. doi: 10.1039/d2cp02474h.
Phys Chem Chem Phys. 2022.
PMID: 36189627
Item in Clipboard
Atomic and Electronic Structure of Pilus from Geobacter sulfurreducens through QM/MM Calculations: Evidence for Hole Transfer in Aromatic Residues.
Mezzina Freitas LP, Feliciano GT.
Mezzina Freitas LP, et al. Among authors: feliciano gt.
J Phys Chem B. 2021 Aug 5;125(30):8305-8312. doi: 10.1021/acs.jpcb.1c01185. Epub 2021 Jul 22.
J Phys Chem B. 2021.
PMID: 34292748
Item in Clipboard
Steric and Electrostatic Effects on the Diffusion of CH4/CH3OH in Copper-Exchanged Zeolites: Insights from Enhanced Sampling Molecular Dynamics and Free Energy Calculations.
Freitas LPM, Espírito Santo AA, Lourenço TC, Da Silva JLF, Feliciano GT.
Freitas LPM, et al. Among authors: feliciano gt.
Langmuir. 2021 Jul 6;37(26):8014-8023. doi: 10.1021/acs.langmuir.1c01078. Epub 2021 Jun 21.
Langmuir. 2021.
PMID: 34152766
Item in Clipboard
Exploring Coupled Redox and pH Processes with a Force-Field-Based Approach: Applications to Five Different Systems.
Cruzeiro VWD, Feliciano GT, Roitberg AE.
Cruzeiro VWD, et al. Among authors: feliciano gt.
J Am Chem Soc. 2020 Feb 26;142(8):3823-3835. doi: 10.1021/jacs.9b11433. Epub 2020 Feb 14.
J Am Chem Soc. 2020.
PMID: 32011132
Item in Clipboard
Thermodynamic and structural aspects of molecular recognition in mannose-binding protein complexes: a theoretical study over HRP-ArtinM association.
Santo AADE, Feliciano GT.
Santo AADE, et al. Among authors: feliciano gt.
J Mol Model. 2021 Mar 15;27(4):107. doi: 10.1007/s00894-021-04694-4.
J Mol Model. 2021.
PMID: 33721076
Item in Clipboard
Cite
Cite