Search results
- 1.0584308 - ÚFCH JH 2025 RIV US eng J - Journal Article
Nemirovich, T. - Young, B. - Březina, K. - Mason, P. E. - Seidel, R. - Stemer, D. - Winter, B. - Jungwirth, P. - Bradforth, S. E. - Schewe, Hanns Christian
Stability and Reactivity of Aromatic Radical Anions in Solution with Relevance to Birch Reduction.
Journal of the American Chemical Society. Roč. 146, č. 12 (2024), s. 8043-8057. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR GA24-10982S
Institutional support: RVO:61388955
Keywords : generalized gradient approximation * state perturbation-theory * photoelectron-spectroscopy * electronic-structure * vibrational-spectra * raman-spectra * hartree-fock * liquid water * naphthalene * benzene
OECD category: Physical chemistry
Impact factor: 15, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0352239File Download Size Commentary Version Access 0584308.pdf 0 5.2 MB open access Publisher’s postprint open-access - 2.0559663 - ÚPT 2023 RIV US eng J - Journal Article
Podhora, L. - Lachman, L. - Pham, Minh Tuan - Lešundák, Adam - Číp, Ondřej - Slodička, L. - Filip, R.
Quantum Non-Gaussianity of Multiphonon States of a Single Atom.
Physical Review Letters. Roč. 129, č. 1 (2022), č. článku 013602. ISSN 0031-9007. E-ISSN 1079-7114
R&D Projects: GA ČR(CZ) GA19-14988S; GA MŠMT(CZ) EF16_026/0008460
EU Projects: European Commission(XE) 20FUN01 - TSCAC
Institutional support: RVO:68081731
Keywords : Quantum non-Gaussian mechanical * Mechanical Fock state * phonon distribution * multi-phonon states of a single atom
OECD category: Optics (including laser optics and quantum optics)
Impact factor: 8.6, year: 2022
Method of publishing: Limited access
https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.129.013602
Permanent Link: https://hdl.handle.net/11104/0336872 - 3.0524631 - MÚ 2021 RIV DE eng J - Journal Article
Engliš, Miroslav - Zhang, G.
Connection and curvature on bundles of Bergman and Hardy spaces.
Documenta Mathematica. Roč. 25, June (2020), s. 189-217. ISSN 1431-0643. E-ISSN 1431-0643
Institutional support: RVO:67985840
Keywords : Bergman space * bundle of Bergman spaces * Fock space * Toeplitz operator
OECD category: Pure mathematics
Impact factor: 0.815, year: 2020
Method of publishing: Open access
http://dx.doi.org/10.25537/dm.2020v25.189-217
Permanent Link: http://hdl.handle.net/11104/0308971File Download Size Commentary Version Access Englis.pdf 5 277.9 KB Publisher’s postprint open-access - 4.0517392 - ÚFCH JH 2020 RIV US eng J - Journal Article
Faulstich, F. M. - Mate, M. - Laestadius, A. - Csirik, M. A. - Veis, Libor - Antalík, Andrej - Brabec, Jiří - Schneider, R. - Pittner, Jiří - Kvaal, S. - Legeza, Ö.
Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer.
Journal of Chemical Theory and Computation. Roč. 15, č. 4 (2019), s. 2206-2220. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GA16-12052S; GA ČR(CZ) GJ18-18940Y; GA ČR(CZ) GA18-24563S; GA MŠMT(CZ) LTAUSA17033
Institutional support: RVO:61388955
Keywords : multireference coupled-cluster * matrix renormalization-group * wigner perturbation-theory * brillouin-wigner * fock-space * configuration-interaction * model * single * formalism * implementation
OECD category: Physical chemistry
Impact factor: 5.011, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0302709File Download Size Commentary Version Access 0517392.pdf 6 1.4 MB open access Publisher’s postprint open-access - 5.0511868 - ÚFCH JH 2020 RIV GB eng J - Journal Article
Ranković, Miloš - Chalabala, J. - Zawadzki, Mateusz - Kočišek, Jaroslav - Slavíček, Petr - Fedor, Juraj
Dissociative ionization dynamics of dielectric gas C3F7CN.
Physical Chemistry Chemical Physics. Roč. 21, č. 30 (2019), s. 16451-16458. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA TA ČR(CZ) TH03020063
Institutional support: RVO:61388955
Keywords : molecular-dynamics * nonadiabatic dynamics * mass-spectra * chemistry * replacement * mechanism * model * fock
OECD category: Physical chemistry
Impact factor: 3.430, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0302115File Download Size Commentary Version Access 0511868.pdf 1 4.5 MB Publisher’s postprint require - 6.0509458 - ÚOCHB 2020 RIV FR eng J - Journal Article
Buchanan, E. A. - Michl, Josef
Optimal arrangements of 1,3-diphenylisobenzofuran molecule pairs for fast singlet fission.
Photochemical & Photobiological Sciences. Roč. 18, č. 9 (2019), s. 2112-2124. ISSN 1474-905X. E-ISSN 1474-9092
Institutional support: RVO:61388963
Keywords : exciton fission * Hartree-Fock * thin films
OECD category: Physical chemistry
Impact factor: 2.831, year: 2019
Method of publishing: Limited access
https://pubs.rsc.org/en/content/articlelanding/2019/PP/C9PP00283A#!divAbstract
Permanent Link: http://hdl.handle.net/11104/0300198 - 7.0508829 - ÚJF 2020 RIV PL eng C - Conference Paper (international conference)
Pokorný, J. - De Gregorio, Giovanni - Knapp, F. - Lo Iudice, N. - Veselý, Petr
Effect of a realistic three-body force on the energy spectra of C-13(Lambda), O-17(Lambda), K-40(Lambda) and K-48(Lambda).
ACTA PHYSICA POLONICA B Proceedings Supplement. Vol. 12. Krakow: Jagelonian University, 2019, s. 657-664. ISSN 1899-2358.
[25th Nuclear Physics Workshop on Structure and Dynamics of Atomic Nuclei. Kazimierz Dolny (PL), 25.09.2018-30.09.2018]
Grant - others:GA MŠk(CZ) LM2010005
Institutional support: RVO:61389005
Keywords : 3-body * Hartree-Fock method * hypernuclear spectra
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Permanent Link: http://hdl.handle.net/11104/0299633 - 8.0506567 - ÚFCH JH 2020 RIV US eng J - Journal Article
Zen, A. - Brandenburg, J.G. - Klimeš, Jiří - Tkatchenko, A. - Alfe, D. - Michaelides, A.
Fast and accurate quantum Monte Carlo for molecular crystals.
Proceedings of the National Academy of Sciences of the United States of America. Roč. 115, č. 8 (2018), s. 1724-1729. ISSN 0027-8424. E-ISSN 1091-6490
Grant - others:Ga MŠk(CZ) LM2015070
Institutional support: RVO:61388955
Keywords : density-functional theory * hartree-fock pseudopotentials * many-body simulations * energy * systems * solids * prediction
OECD category: Physical chemistry
Impact factor: 9.580, year: 2018
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0297798File Download Size Commentary Version Access 0506567.pdf 3 1.1 MB open access Publisher’s postprint open-access - 9.0506538 - ÚFCH JH 2020 RIV NL eng J - Journal Article
Haroon, M. - Akhtar, T. - Yousuf, M.J. - Baig, Mirza Wasif - Tahir, M.N. - Rasheed, L.
Synthesis, spectroscopic characterization and crystallographic behavior of ethyl 2-(4-methyl-(2-benzylidenehydraziny1))thiazole-4-carboxylate: Experimental and theoretical (DFT) studies.
Journal of Molecular Structure. Roč. 1167, SEP 2018 (2018), s. 154-160. ISSN 0022-2860. E-ISSN 1872-8014
Institutional support: RVO:61388955
Keywords : density-functional-theory * hartree-fock * mutagenic tautomerization * biological evaluation * dna
OECD category: Physical chemistry
Impact factor: 2.120, year: 2018
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0297783File Download Size Commentary Version Access 0506538.pdf 5 2 MB Publisher’s postprint require - 10.0499100 - ÚJF 2019 RIV NL eng J - Journal Article
Inoyatov, A. K. - Kovalík, Alojz - Perevoshchikov, L. L. - Filosofov, D. V. - Ekman, J. - Vénos, Drahoslav - Muminov, T. M. - Radchenko, V. - Zhdanov, V. S.
The experimental investigation of weak effects in the KLL Auger electron spectrum of Zr and Nb generated in radioactive decay.
Journal of Electron Spectroscopy and Related Phenomena. Roč. 229, č. 12 (2018), s. 61-67. ISSN 0368-2048. E-ISSN 1873-2526
R&D Projects: GA MŠMT LTT18021
Institutional support: RVO:61389005
Keywords : Zr-90 * Nb-90 * Nb-91m * KLL Auger transitions * Atomic structure effect * Multiconfiguration Dirac-Hartree-Fock * calculations
OECD category: Nuclear physics
Impact factor: 1.343, year: 2018
Permanent Link: http://hdl.handle.net/11104/0291376