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TDDFT
Publication
Class
Person
Publication
Programmes
publication
TDDFT with Skyrme forces: effect of time-odd densities on electric giant resonances
2008 |
Faculty of Mathematics and Physics
publication
Protein binding, DFT/TDDFT calculation and catecholase activity of five coordinated distorted square pyramidal/trigonal bipyramidal Cu(II) complexes
2018 |
Faculty of Science
publication
Energy transfer between Si nanocrystals and protoporphyrin molecules as a function of distance, orientation and size
2023 |
Faculty of Mathematics and Physics
publication
Unravelling Photoinduced Interlayer Spin Transfer Dynamics in Two-Dimensional Nonmagnetic-Ferromagnetic van der Waals Heterostructures
2021 |
Faculty of Science
publication
Ultrafast Laser Pulse Induced Transient Ferrimagnetic State and Spin Relaxation Dynamics in Two-Dimensional Antiferromagnets
2023 |
Faculty of Science, Central Library of Charles University
publication
DFT/TD-DFT calculation, photophysical properties, DNA/protein binding and catecholase activity of chelating ligand based trigonal bipyramidal copper(II) complexes
2019 |
Faculty of Science
publication
The vertical excitation energies and a lifetime of the two lowest singlet excited states of the conjugated polyenes from C2 to C22: Ab initio, DFT, and semiclassical MNDO-MD simulations
2023 |
Faculty of Mathematics and Physics
publication
Orientation of Laurdan in Phospholipid Bilayers Influences Its Fluorescence: Quantum Mechanics and Classical Molecular Dynamics Study
2018 |
Faculty of Science, Central Library of Charles University
publication
Computation of magnetic circular dichroism by sum-over-states summations
2013 |
Faculty of Mathematics and Physics
publication
Electronic Circular Dichroism of the Chiral Rigid Tricyclic Dilactam with Nonplanar Tertiary Amide Groups
2014 |
Faculty of Mathematics and Physics
publication
Systematic investigation of phthalocyanines, naphthalocyanines, and their aza-analogues. Effect of the isosteric aza-replacement in the core
2015 |
Faculty of Pharmacy in Hradec Králové
publication
Relativistic effects in spectroscopy and photophysics of heavy-metal complexes illustrated by spin-orbit calculations of [Re(imidazole)(CO)3(phen)]+.
2011 |
Faculty of Science
publication
Ultrafast Light-Induced Ferromagnetic State in Transition Metal Dichalcogenides Monolayers
2022 |
Faculty of Science
publication
OFF-ON-OFF Red-Emitting Fluorescent Indicators for a Narrow pH Window
2017 |
Faculty of Pharmacy in Hradec Králové
publication
Terahertz Laser Pulse Boosts Interlayer Spin Transfer in Two-Dimensional van der Waals Magnetic Heterostructures
2023 |
Faculty of Science