Benchmarking coupled cluster methods on valence singlet excited states D Kánnár, PG Szalay Journal of Chemical Theory and Computation 10 (9), 3757-3765, 2014 | 132 | 2014 |
Accuracy of coupled cluster excitation energies in diffuse basis sets D Kánnár, A Tajti, PG Szalay Journal of Chemical Theory and Computation 13 (1), 202-209, 2017 | 56 | 2017 |
Some unexpected behavior of the adsorption of alkali metal ions onto the graphene surface under the effect of external electric field B Peles-Lemli, D Kánnár, JC Nie, H Li, S Kunsági-Máté The Journal of Physical Chemistry C 117 (41), 21509-21515, 2013 | 43 | 2013 |
Benchmarking coupled cluster methods on singlet excited states of nucleobases D Kánnár, PG Szalay Journal of molecular modeling 20, 1-8, 2014 | 30 | 2014 |
Theoretical investigation of the ion diffusion on graphene surface controlled by external electric field D Kánnár | | |