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Libor Veis

Showing results (31-40 of 50) with videos related to

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The Journal of Chemical Physics|December 14, 2023
Hilbert space multireference coupled cluster tailored by matrix product statesOndřej Demel, Jan Brandejs, Jakub Lang, et al.
JACS Au|February 27, 2026
Multispin Entangled Polyradical Roaming Reactions from Spin-Symmetry Breakings and Aromatic Ring Fission in Nitroaromatic Energetic MoleculesRui Liu, Xinrui Yang, Baiqiang Liu, et al.
The Journal of Physical Chemistry Letters|May 17, 2022
Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet-Triplet Gaps of BiradicalsDaria Drwal, Pavel Beran, Michał Hapka, et al.
Journal of Chemical Theory and Computation|January 13, 2021
DMRG on Top of Plane-Wave Kohn-Sham Orbitals: A Case Study of Defected Boron NitrideGergely Barcza, Viktor Ivády, Tibor Szilvási, et al.
Journal of Chemical Theory and Computation|October 21, 2023
Role of Spin Polarization and Dynamic Correlation in Singlet-Triplet Gap Inversion of Heptazine DerivativesDaria Drwal, Mikulas Matousek, Pavlo Golub, et al.
Journal of Chemical Theory and Computation|November 19, 2024
Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe-2S] Systems: A Benchmark Study of the [Fe<sub>2</sub>S<sub>2</sub>(SCH<sub>3</sub>)<sub>4</sub>]<sup>2-,3-,4-</sup>, [Fe<sub>2</sub>S<sub>2</sub>(SCys)<sub>4</sub>]<sup>2-</sup>, [Fe<sub>2</sub>S<sub>2</sub>(S-<i>p</i>-tol)<sub>4</sub>]<sup>2-</sup>, and [Fe<sub>2</sub>S<sub>2</sub>(S-<i>o</i>-xyl)<sub>4</sub>]<sup>2-</sup> ComplexesDemeter Tzeli, Pavlo Golub, Jiri Brabec, et al.
Electrophoresis|April 21, 2007
On-line preconcentration of weak electrolytes by electrokinetic accumulation in CE: experiment and simulationJana Horáková, Jan Petr, Vítezslav Maier, et al.
Physical Chemistry Chemical Physics : PCCP|July 28, 2020
Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC studyAndrej Antalík, Dana Nachtigallová, Rabindranath Lo, et al.
ACS Nano|July 21, 2020
On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekulé Aromatic HydrocarbonsChristian Wäckerlin, Aurelio Gallardo, Anaïs Mairena, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 9, 2018
An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground-State: A Nexus between Theory and ExperimentDana Nachtigallová, Andrej Antalík, Rabindranath Lo, et al.
Pageof 5

Showing results (31-40 of 50) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|December 14, 2023
Hilbert space multireference coupled cluster tailored by matrix product statesOndřej Demel, Jan Brandejs, Jakub Lang, et al.
JACS Au|February 27, 2026
Multispin Entangled Polyradical Roaming Reactions from Spin-Symmetry Breakings and Aromatic Ring Fission in Nitroaromatic Energetic MoleculesRui Liu, Xinrui Yang, Baiqiang Liu, et al.
The Journal of Physical Chemistry Letters|May 17, 2022
Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet-Triplet Gaps of BiradicalsDaria Drwal, Pavel Beran, Michał Hapka, et al.
Journal of Chemical Theory and Computation|January 13, 2021
DMRG on Top of Plane-Wave Kohn-Sham Orbitals: A Case Study of Defected Boron NitrideGergely Barcza, Viktor Ivády, Tibor Szilvási, et al.
Journal of Chemical Theory and Computation|October 21, 2023
Role of Spin Polarization and Dynamic Correlation in Singlet-Triplet Gap Inversion of Heptazine DerivativesDaria Drwal, Mikulas Matousek, Pavlo Golub, et al.
Journal of Chemical Theory and Computation|November 19, 2024
Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe-2S] Systems: A Benchmark Study of the [Fe<sub>2</sub>S<sub>2</sub>(SCH<sub>3</sub>)<sub>4</sub>]<sup>2-,3-,4-</sup>, [Fe<sub>2</sub>S<sub>2</sub>(SCys)<sub>4</sub>]<sup>2-</sup>, [Fe<sub>2</sub>S<sub>2</sub>(S-<i>p</i>-tol)<sub>4</sub>]<sup>2-</sup>, and [Fe<sub>2</sub>S<sub>2</sub>(S-<i>o</i>-xyl)<sub>4</sub>]<sup>2-</sup> ComplexesDemeter Tzeli, Pavlo Golub, Jiri Brabec, et al.
Electrophoresis|April 21, 2007
On-line preconcentration of weak electrolytes by electrokinetic accumulation in CE: experiment and simulationJana Horáková, Jan Petr, Vítezslav Maier, et al.
Physical Chemistry Chemical Physics : PCCP|July 28, 2020
Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC studyAndrej Antalík, Dana Nachtigallová, Rabindranath Lo, et al.
ACS Nano|July 21, 2020
On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekulé Aromatic HydrocarbonsChristian Wäckerlin, Aurelio Gallardo, Anaïs Mairena, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 9, 2018
An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground-State: A Nexus between Theory and ExperimentDana Nachtigallová, Andrej Antalík, Rabindranath Lo, et al.
Pageof 5