Search results
- 1.0586410 - ÚOCHB 2025 RIV US eng J - Journal Article
Řezáč, Jan - Kontkanen, Outi Vilhelmiina - Nováček, Martin
Working with benchmark datasets in the Cuby framework.
Journal of Chemical Physics. Roč. 160, č. 20 (2024), č. článku 202501. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA22-17063S
Institutional support: RVO:61388963
Keywords : main-group thermochemistry * noncovalent interactions * interaction energies
Impact factor: 4.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1063/5.0203372
Permanent Link: https://hdl.handle.net/11104/0353946 - 2.0584482 - ÚOCHB 2025 RIV US eng J - Journal Article
Kalvoda, Tadeáš - Martinek, Tomáš - Jungwirth, Pavel - Rulíšek, Lubomír
Hydration numbers of biologically relevant divalent metal cations from ab initio molecular dynamics and continuum solvation methods.
Journal of Chemical Physics. Roč. 160, č. 8 (2024), č. článku 084308. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA23-05940S
EU Projects: European Commission(XE) 101095957 - Q-SCALING
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : absorption fine-structure * aqueous-solution * neutron-diffraction
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1063/5.0192024
Permanent Link: https://hdl.handle.net/11104/0352388File Download Size Commentary Version Access 10.10635.0192024.pdf 0 4.9 MB Publisher’s postprint require - 3.0583558 - ÚT 2025 RIV US eng J - Journal Article
Fiedler, F. - Vinš, Václav - Jäger, A. - Span, R.
Modification of the van der Waals and Platteeuw model for gas hydrates considering multiple cage occupancy.
Journal of Chemical Physics. Roč. 160, č. 9 (2024), č. článku 094502. ISSN 0021-9606. E-ISSN 1089-7690
Institutional support: RVO:61388998
Keywords : gas hydrates * hydrogen * langmuir constant * nitrogen * multiple occupancy * thermodynamic model
OECD category: Thermodynamics
Impact factor: 4.4, year: 2022
Method of publishing: Open access
https://pubs.aip.org/aip/jcp/article/160/9/094502/3267953/Modification-of-the-van-der-Waals-and-Platteeuw
Permanent Link: https://hdl.handle.net/11104/0353422 - 4.0583500 - ÚCHP 2025 RIV US eng J - Journal Article
Rezlerová, Eliška - Moučka, Filip - Předota, M. - Lísal, Martin
Structure and self-diffusivity of mixed-cation electrolytes between neutral and charged graphene sheets.
Journal of Chemical Physics. Roč. 160, č. 9 (2024), č. článku 094701. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA21-27338S
Institutional support: RVO:67985858
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Open access with time embargo
Permanent Link: https://hdl.handle.net/11104/0351469File Download Size Commentary Version Access 0583500.pdf 0 12.9 MB Author’s postprint require - 5.0583130 - ÚFP 2024 RIV US eng J - Journal Article
Medvedev, Nikita - Voronkov, R. - Volkov, A.
Metallic water: Transient state under ultrafast electronic excitation.
Journal of Chemical Physics. Roč. 158, č. 7 (2023), č. článku 074501. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA MŠMT(CZ) LM2018114
Grant - others:Ministerstvo školství, mládeže a tělovýchovy - GA MŠk(CZ) LM2018140
Institutional support: RVO:61389021
Keywords : ultrafast electronic excitation * transient state * energy
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://pubs.aip.org/aip/jcp/article/158/7/074501/2877031/Metallic-water-Transient-state-under-ultrafast
Permanent Link: https://hdl.handle.net/11104/0351122 - 6.0580139 - ÚFCH JH 2024 RIV US eng J - Journal Article
Demel, Ondřej - Brandejs, Jan - Lang, Jakub - Brabec, Jiří - Veis, Libor - Legeza, Ö. - Pittner, Jiří
Hilbert space multireference coupled cluster tailored by matrix product states.
Journal of Chemical Physics. Roč. 159, č. 22 (2023), č. článku 224115. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA18-24563S; GA ČR(CZ) GA19-01897S
Research Infrastructure: e-INFRA CZ II - 90254; e-INFRA CZ - 90140
Institutional support: RVO:61388955
Keywords : HOMO and LUMO * Hilbert-space multi-reference coupled-cluster method * Coupled-cluster methods
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0348905File Download Size Commentary Version Access 0580139.pdf 3 5.9 MB open access Publisher’s postprint open-access - 7.0579468 - ÚFP 2024 RIV US eng J - Journal Article
Medvedev, Nikita - Noei, H. - Toleikis, S. - Ziaja, B.
Response of free-standing graphene monolayer exposed to ultrashort intense XUV pulse from free-electron laser.
Journal of Chemical Physics. Roč. 154, č. 20 (2021), č. článku 204706. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA MŠMT LTT17015; GA MŠMT(CZ) LM2015083
Grant - others:European Cooperation in Science and Technology(BE) CA17126
Program: COST
Institutional support: RVO:61389021
Keywords : XUV * graphene * free-electron laser
OECD category: Optics (including laser optics and quantum optics)
Impact factor: 4.304, year: 2021
Method of publishing: Limited access
https://pubs.aip.org/aip/jcp/article-abstract/154/20/204706/200024/Response-of-free-standing-graphene-monolayer?redirectedFrom=fulltext
Permanent Link: https://hdl.handle.net/11104/0348305 - 8.0575796 - ÚT 2024 RIV US eng J - Journal Article
Klíma, M. - Celný, David - Janek, J. - Kolafa, J.
Properties of water and argon clusters developed in supersonic expansions.
Journal of Chemical Physics. Roč. 159, č. 12 (2023), č. článku 124302. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA22-28869S
Grant - others:NVIDIA Corporation(US) A2_FCHI_2022_017
Institutional support: RVO:61388998
Keywords : molecular-dynamics simulations * supercritical solutions ress * homogeneous nucleation * rapid expansion * particle formation
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 4.4, year: 2022
Method of publishing: Open access
https://pubs.aip.org/aip/jcp/article/159/12/124302/2912115/Properties-of-water-and-argon-clusters-developed
Permanent Link: https://hdl.handle.net/11104/0347807 - 9.0575359 - FZÚ 2024 RIV US eng J - Journal Article
Chlan, V. - Adamec, Martin - Štěpánková, H. - Thomas, V.G. - Kadlec, Filip
Orientation and dynamics of water molecules in beryl.
Journal of Chemical Physics. Roč. 158, č. 12 (2023), č. článku 124308. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA20-01527S; GA MŠMT(CZ) EF16_019/0000760
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institutional support: RVO:68378271
Keywords : NMR spectroscopy * beryl * water molecules * dynamical behavior
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 4.4, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0345146File Download Size Commentary Version Access 0575359.pdf 0 7.8 MB CC-BY licence Publisher’s postprint open-access - 10.0574603 - FZÚ 2024 RIV US eng J - Journal Article
Khodabandehlou, F. - Maes, C. - Netočný, Karel
A Nernst heat theorem for nonequilibrium jump processes.
Journal of Chemical Physics. Roč. 158, č. 20 (2023), č. článku 204112. ISSN 0021-9606. E-ISSN 1089-7690
Institutional support: RVO:68378271
Keywords : Nernst theorem * nonequilibrium process * heat capacity
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1063/5.0142694
Permanent Link: https://hdl.handle.net/11104/0346708