| 1 |
Semi-empirical methods in RedOx potential calculations of substituted aromatic compounds: Parameterizations, solvation models, approximation by frontier molecular orbital energies
Vakulin IV, Bugaets DV, Zilberg RA, Maistrenko VN
Electrochimica Acta, 294, 423, 2019 |
| 2 |
Electrochemical stability of ether based salt-in-polymer based electrolytes: Computational investigation of the effect of substitution and the type of salt
Pandian S, Adiga SP, Tagade P, Hariharan KS, Mayya KS, Lee YG
Journal of Power Sources, 393, 204, 2018 |
| 3 |
Quantum chemical modeling of tri-Mn-substituted W-based Keggin polyoxoanions
Kremleva A, Aparicio PA, Genest A, Rosch N
Electrochimica Acta, 231, 659, 2017 |
| 4 |
Effects of electrolytes on redox potentials through ion pairing
Bird MJ, Iyoda T, Bonura N, Bakalis J, Ledbetter AJ, Miller JR
Journal of Electroanalytical Chemistry, 804, 107, 2017 |
| 5 |
Orbital order switching in molecular calculations using GGA functionals: Qualitative errors in materials modeling for electrochemical power sources and how to fix them
Sk MA, Chen YQ, Manzhos S
Chemical Physics Letters, 659, 270, 2016 |
| 6 |
Reactivity indexes for the electrocatalytic oxidation of hydrogen peroxide promoted by several ligand-substituted and unsubstituted Co phthalocyanines adsorbed on graphite
Zuniga C, Tasca F, Calderon S, Farias D, Recio FJ, Zagal JH
Journal of Electroanalytical Chemistry, 765, 22, 2016 |
| 7 |
Reductive Hydrogenation of the Aqueous Rutile TiO2(110) Surface
Cheng J, Liu XD, VandeVondele J, Sprik M
Electrochimica Acta, 179, 658, 2015 |
| 8 |
Computational screening of lactam molecules as solid electrolyte interphase forming additives in lithium-ion batteries
Han YK, Moon Y, Lee K, Huh YS
Current Applied Physics, 14(6), 897, 2014 |
| 9 |
New Unsymmetrically Benzene-Fused Bis (Tetrathiafulvalene): Synthesis, Characterization, Electrochemical Properties and Electrical Conductivity of Their Materials
Abbaz T, Bendjeddou A, Gouasmia A, Villemin D, Shirahata T
International Journal of Molecular Sciences, 15(3), 4550, 2014 |
| 10 |
Subsequent redox transitions as a tool to understand solvation in ionic liquids
Nikitina VA, Gruber F, Jansen M, Tsirlina GA
Electrochimica Acta, 103, 243, 2013 |
