| Role of electronic localization in the phosphorescence of iridium sensitizing dyes B Himmetoglu, A Marchenko, I Dabo, M Cococcioni The Journal of Chemical Physics 137 (15), 2012 | 32 | 2012 |
| Uranyl Carbonate Complexes in Aqueous Solution and Their Ligand NMR Chemical Shifts and 17O Quadrupolar Relaxation Studied by ab Initio Molecular Dynamics A Marchenko, LA Truflandier, J Autschbach Inorganic Chemistry 56 (13), 7384-7396, 2017 | 28 | 2017 |
| Quadrupolar 14N NMR Relaxation from Force-Field and Ab Initio Molecular Dynamics in Different Solvents A Philips, A Marchenko, LC Ducati, J Autschbach Journal of Chemical Theory and Computation 15 (1), 509-519, 2018 | 21 | 2018 |
| Quadrupolar NMR Relaxation from ab Initio Molecular Dynamics: Improved Sampling and Cluster Models versus Periodic Calculations A Philips, A Marchenko, LA Truflandier, J Autschbach Journal of Chemical Theory and Computation 13 (9), 4397-4409, 2017 | 18 | 2017 |
| NMR J-Coupling Constants of Tl–Pt Bonded Metal Complexes in Aqueous Solution: Ab Initio Molecular Dynamics and Localized Orbital Analysis LC Ducati, A Marchenko, J Autschbach Inorganic Chemistry 55 (22), 12011-12023, 2016 | 18 | 2016 |
| Exatomic: A unified platform for computational chemists TJ Duignan, A Marchenko Online: https://github. com/exa-analytics/exatomic, 2021 | 17 | 2021 |
| Exatomic: A unified platform for computational chemists A Marchenko, T Duignan, A Philips, TG Badger, HD Ludowieg, B Moore doi, 2021 | 10 | 2021 |
| NMR j-coupling constants and chemical shift of Pt-Pt bonded metal complexes in aqueous solution by ab initio molecular dynamics and localized orbital analysis P Batista, A Marchenko, LC Ducati, J Autschbach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| DBMS+ OSD B Debnath, M Khalefa, A Marchenko, M Mokbel, D Lilja | | |
