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Gaussian-type basis
Publication
Class
Person
Publication
Programmes
publication
Unprecedented Chemical Reactivity of a Paramagnetic Endohedral Metallofullerene La@Cs-C82 that Leads Hydrogen Addition in the 1,3-Dipolar Cycloaddition Reaction
2014 |
Faculty of Science
publication
Ruthenium(II) Bipyridyl Complexes with C^C* Cyclometalated Mesoionic Carbene Ligands
2018 |
Faculty of Science
publication
Spectral properties of ionic benzotristhiazole based donor-acceptor NLO-phores in polymer matrices and their one- and two-photon cellular imaging ability
2017 |
Faculty of Science
publication
Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach
2022 |
Faculty of Pharmacy in Hradec Králové
publication
Structural interpretation of the P-31 NMR chemical shifts in thiophosphate and phosphate: key effects due to spin-orbit and explicit solvent
2019 |
Faculty of Mathematics and Physics
publication
Structural Interpretation of the 31P NMR Chemical Shift in Phosphorothiolate and Phosphate
2019 |
Faculty of Mathematics and Physics