Search results

0586149 - ÚJF 2025 RIV NL eng J - Journal Article
Danielisová, A. - Maiorano, M. P. - Chlachula, D. - Frenez, D. - Maini, E. - Daněček, D. - Trubač, J. - David-Cuny, H. - Garba, Roman
The first investigation of an Iron Age shell midden in Oman: The Nafūn complex.
Journal of Archaeological Science: Reports. Roč. 55, MAY (2024), č. článku 104501. ISSN 2352-409X
R&D Projects: GA MŠMT EF16_019/0000728
Institutional support: RVO:61389005
Keywords : Shell midden * Sultanate of Oman * Iron Age * Radiocarbon chronology * Long-distance contacts * Geochemistry
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 1.6, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.jasrep.2024.104501
Permanent Link: https://hdl.handle.net/11104/0353739

0585709 - FZÚ 2025 RIV DE eng J - Journal Article
Zuzak, R. - Kumar, Manish - Stoica, O. - Soler Polo, Diego Manuel - Brabec, Jiří - Pernal, K. - Veis, Libor - Blieck, R. - Echavarren, A. M. - Jelínek, Pavel - Godlewski, S.
On-surface synthesis and determination of the open-shell singlet ground state of tridecacene.
Angewandte Chemie - International Edition. Roč. 63, č. 9 (2024), č. článku e202317091. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA MŠMT LM2023051; GA ČR(CZ) GA23-05486S
Institutional support: RVO:68378271 ; RVO:61388955
Keywords : diradicals * higher acenes * inelastic excitation * many-body calculations * open-shell compounds
OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Physical chemistry (UFCH-W)
Impact factor: 16.6, year: 2022
Permanent Link: https://hdl.handle.net/11104/0353414

0584789 - ÚFE DATA Scientific data      2024
Pandey, Saurabh K. - Cifra, Michal

Raw data of the molecular dynamics simulation trajectories and normal mode analyses of tubulin heterodimer A2205.

Description: This dataset contains data from molecular dynamics (MD) simulations and normal mode analysis (NMA) performed on tubulin protein.
MD_parameters-structure.zip: Tubulin_dimer_model.pdb containing tubulin structure, .mdp files containing parameters for MD simulation and MD.xtc file containing the trajectory of 500ns long MD simulation.
NMA_parameters-structures.zip: .mdp files containing parameter files for NMA and five structure files as an example of each type of system containing protein with different water layers as .pdb files.
NMA was performed on five types of systems, containing different water shells around protein: protein with - no water, 3Å, 5Å, 8Å, and 10Å of water. One hundred calculations were performed for each type of system above. Results obtained and analyzed in NMA calculations are provided here: frequency and eigenvectors for first one thousand eigenmodes for each NMA calculation.
frequency_files.zip: contains five folders named as frequency_0A, frequency_3A, frequency_5A, frequency_8A, and frequency_10A for systems with no water, 3Å, 5Å, 8Å, and 10Å water layer around protein. Each of these folders contain one hundred .xvg files with frequencies of normal modes.
eigenvec-files_0A.zip: one hundred .trr files containing first one thousands eigenmodes obtained from NMA for systems with only protein (i.e. no water).
eigenvec-files_3A.zip: one hundred .trr files containing first one thousands eigenmodes obtained from NMA for systems with 3Å water layer around protein.
eigenvec-files_5A|_p1.zip: fifty .trr files containing first one thousands eigenmodes obtained from NMA for systems with 5Å water layer around protein.
eigenvec-files_5A|_p2.zip: fifty .trr files containing first one thousands eigenmodes obtained from NMA for systems with 5Å water layer around protein.
eigenvec-files_8A|_p1.zip: fifty .trr files containing first one thousands eigenmodes obtained from NMA for systems with 8Å water layer around protein.
eigenvec-files_8A|_p2.zip: fifty .trr files containing first one thousands eigenmodes obtained from NMA for systems with 8Å water layer around protein.
eigenvec-files_10A|_p1.zip: fifty .trr files containing first one thousands eigenmodes obtained from NMA for systems with 10Å water layer around protein.
eigenvec-files_10A|_p2.zip: fifty .trr files containing first one thousands eigenmodes obtained from NMA for systems with 10Å water layer around protein.


Keywords : normal mode analysis * tubulin * subTHz * hydration shell
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
DOI: https://doi.org/10.57680/asep.0584789
Handle: https://hdl.handle.net/11104/0352684
Depositor: admin
Date of release: 4.4.2024
 

0579696 - ÚJF 2024 RIV US eng J - Journal Article
Sargsyan, G. H. - Launey, K. D. - Shaffer, R. M. - Dudeck, N. - Mercenne, A. - Dytrych, Tomáš - Draayer, J. P.
Ab initio single-neutron spectroscopic overlaps in lithium isotopes.
Physical Review C. Roč. 108, č. 5 (2023), č. článku 054303. ISSN 2469-9985. E-ISSN 2469-9993
R&D Projects: GA ČR(CZ) GA22-14497S
Institutional support: RVO:61389005
Keywords : ab initio * shell model * neutron-nucleus asymptotic
OECD category: Nuclear physics
Impact factor: 3.1, year: 2022
Method of publishing: Limited access
https://doi.org/10.1103/PhysRevC.108.054303
Permanent Link: https://hdl.handle.net/11104/0348502

0578203 - ÚMCH 2025 RIV NL eng J - Journal Article
Tadyszak, Krzysztof - Tomšík, Elena - Černochová, Zulfiya
Electrochemical and radical properties of core-shell structure PDA@SiO2.
Synthetic Metals. Roč. 301, January-February (2024), č. článku 117492. ISSN 0379-6779. E-ISSN 0379-6779
R&D Projects: GA MŠMT(CZ) LM2023053; GA ČR(CZ) GA21-01090S
Institutional support: RVO:61389013
Keywords : polydopamine * silicon dioxide * core-shell structure
OECD category: Polymer science
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S037967792300214X?via%3Dihub
Permanent Link: https://hdl.handle.net/11104/0350063