| Are there magic compositions in deep eutectic solvents? Effects of composition and water content in choline chloride/ethylene glycol from ab initio molecular dynamics V Alizadeh, F Malberg, AAH Pádua, B Kirchner The Journal of Physical Chemistry B 124 (34), 7433-7443, 2020 | 113 | 2020 |
| Strong microheterogeneity in novel deep eutectic solvents V Alizadeh, D Geller, F Malberg, PB Sánchez, A Padua, B Kirchner ChemPhysChem 20 (14), 1786-1792, 2019 | 48 | 2019 |
| How is CO2 absorbed into a deep eutectic solvent? V Alizadeh, L Esser, B Kirchner The Journal of Chemical Physics 154 (9), 2021 | 31 | 2021 |
| Chemistry dissolved in ionic liquids. A theoretical perspective B Kirchner, J Blasius, V Alizadeh, A Gansäuer, O Holloczki The Journal of Physical Chemistry B 126 (4), 766-777, 2022 | 13 | 2022 |
| Molecular level insight into the solvation of cellulose in deep eutectic solvents V Alizadeh, B Kirchner The Journal of Chemical Physics 155 (8), 2021 | 12 | 2021 |
| A theoretical investigation of hydrogen bonding effects on oxygen and hydrogen chemical shielding tensors of aspirin MD Esrafili, V Alizadeh Structural Chemistry 22, 1195-1203, 2011 | 11 | 2011 |
| Characterization of O–H⋯ O interactions in linear and cyclic clusters of boric acid: An ab initio, DFT, QTAIM and NBO study MD Esrafili, V Alizadeh Computational and Theoretical Chemistry 974 (1-3), 66-75, 2011 | 11 | 2011 |
| Cluster analysis in liquids: A novel tool in TRAVIS T Frömbgen, J Blasius, V Alizadeh, A Chaumont, M Brehm, B Kirchner Journal of chemical information and modeling 62 (22), 5634-5644, 2022 | 8 | 2022 |
| A theoretical study on bonding and energy aspects of and [LnL3· H2O] 3+ complexes (Ln= La, Eu, Gd, L· u; L= β-diketone, β-dithioketone, β-diphosphine oxide) MD Esrafili, V Alizadeh Molecular Physics 110 (18), 2239-2249, 2012 | 5 | 2012 |
| Characterization of intermolecular interactions in crystalline aspirin: A computational NQR study MD Esrafili, V Alizadeh International Journal of Quantum Chemistry 112 (5), 1392-1400, 2012 | 4 | 2012 |
| Reducing Uncertainties in and Analysis of Ionic Liquid Trajectories T Frömbgen, J Blasius, L Dick, K Drysch, V Alizadeh, L Wylie, B Kirchner Elsevier, 2023 | 2 | 2023 |
| A DFT Study of Hydrogen Adsorption on Ln@B16N16 Fullerene-Like Nanocage (Ln: La, Gd and Lu) MD Esrafili, S Chashmniam, V Alizadeh Fullerenes, Nanotubes and Carbon Nanostructures 22 (10), 928-937, 2014 | 2 | 2014 |
| Locality in amino-acid based imidazolium ionic liquids W Dong, V Alizadeh, J Blasius, L Wylie, L Dick, Z Fan, B Kirchner Physical Chemistry Chemical Physics 25 (36), 24678-24685, 2023 | 1 | 2023 |
| A Hybrid Monte Carlo study of argon solidification V Alizadeh, M Garofalo, C Urbach, B Kirchner Zeitschrift für Naturforschung B 79 (4), 283-291, 2024 | | 2024 |
| Cover Feature: Strong Microheterogeneity in Novel Deep Eutectic Solvents (ChemPhysChem 14/2019) V Alizadeh, D Geller, F Malberg, PB Sánchez, A Padua, B Kirchner ChemPhysChem 20 (14), 1776-1776, 2019 | | 2019 |
Barbara KirchnerProfessor of Theoretical Chemistry, University of BonnVerified email at thch.uni-bonn.de
