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molecular-orbital methods
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Ho2O@C84: Crystallographic Evidence Showing Linear Metallic Oxide Cluster Encapsulated in IPR Fullerene Cage of D2d(51591)-C84
2019 |
Faculty of Science
publication
Electron scattering in HCl: An improved nonlocal resonance model
2010 |
Faculty of Mathematics and Physics
publication
Ho2C2 Cluster with Flexible Configurations inside a Large C2(61)-C92 Cage
2022 |
Faculty of Science
publication
Computational Modeling of the Ce@C82 Metallofullerene Isomeric Composition
2019 |
Faculty of Science
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
Endohedrally stabilized C70 isomer with fused pentagons characterized by crystallography
2016 |
Faculty of Science
publication
Isomeric Sc2O@C78 Related by a Single-Step Stone-Wales Transformation: Key Links in an Unprecedented Fullerene Formation Pathway
2016 |
Faculty of Science
publication
Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins
2019 |
Faculty of Pharmacy in Hradec Králové
publication
Ho2O@C74: Ho2O Cluster Expands within a Small Non-IPR Fullerene Cage of C2(13333)-C74
2019 |
Faculty of Science
publication
Ruthenium(II) Bipyridyl Complexes with C^C* Cyclometalated Mesoionic Carbene Ligands
2018 |
Faculty of Science
publication
Monitoring of Reaction Intermediates in the Gas Phase: Ruthenium-Catalyzed C-C Coupling
2014 |
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