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density-functional methods
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Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of N-[(4-(trifluoromethyl) phenyl] pyrazine-2-carboxamide by density functional methods
2017 |
Faculty of Pharmacy in Hradec Králové
publication
Ab initio investigation of intermolecular interactions in solid benzene (Article No. 092103)
2008 |
Faculty of Mathematics and Physics
publication
Al(III)-NTA-fluoride: A simple model system for Al-F binding with interesting thermodynamics
2020 |
Faculty of Science, Central Library of Charles University
publication
Luminescent Cationic Group 4 Metallocene Complexes Stabilized by Pendant N-Donor Groups
2021 |
Faculty of Science, Central Library of Charles University
publication
Vibrational spectroscopic investigations and computational study of 5-tert-Butyl-N-(4-trifluoromethylphenyl)pyrazine-2-carboxamide
2013 |
Faculty of Pharmacy in Hradec Králové
publication
Additive transport in DNA molecular circuits
2022 |
Faculty of Mathematics and Physics
publication
Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins
2019 |
Faculty of Pharmacy in Hradec Králové