Search results
- 1.0542518 - ÚFCH JH 2022 RIV CH eng J - Journal Article
Petera, Lukáš - Mráziková, Klaudia - Nejdl, L. - Zemánková, K. - Vaculovičová, M. - Pastorek, Adam - Civiš, Svatopluk - Kubelík, Petr - Heays, Alan - Cassone, Giuseppe - Šponer, Jiří - Ferus, Martin - Šponer, Judit E.
Prebiotic Route to Thymine from Formamide-A Combined Experimental-Theoretical Study.
Molecules. Roč. 26, č. 8 (2021), č. článku 2248. E-ISSN 1420-3049
R&D Projects: GA ČR GA19-03314S; GA MŠMT EF16_019/0000778
Institutional support: RVO:61388955 ; RVO:68081707
Keywords : formamide * thymine * uracil * prebiotic chemistry * origin of life
OECD category: Physical chemistry; Biochemistry and molecular biology (BFU-R)
Impact factor: 4.927, year: 2021
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0319915File Download Size Commentary Version Access 0542518.pdf 3 2.4 MB open access Publisher’s postprint open-access - 2.0539853 - BFÚ 2021 RIV GB eng J - Journal Article
Creazzo, F. - Pezzotti, S. - Bougueroua, S. - Serva, A. - Šponer, Jiří - Saija, F. - Cassone, Giuseppe - Gaigeot, M.P.
Enhanced conductivity of water at the electrified air-water interface: a DFT-MD characterization.
Physical Chemistry Chemical Physics. Roč. 22, č. 19 (2020), s. 10438-10446. ISSN 1463-9076. E-ISSN 1463-9084
Institutional support: RVO:68081707
Keywords : proton-transfer * ab-initio * molecular-dynamics * aqueous-solutions * ionic-diffusion
OECD category: Biochemistry and molecular biology
Impact factor: 3.676, year: 2020
Method of publishing: Limited access
https://pubs.rsc.org/en/content/articlelanding/2020/CP/C9CP06970D#!divAbstract
Permanent Link: http://hdl.handle.net/11104/0317553 - 3.0511928 - ÚFCH JH 2020 RIV GB eng J - Journal Article
Pastorek, Adam - Hrncirova, J. - Jankovič, L. - Nejdl, L. - Civiš, Svatopluk - Ivanek, Ondřej - Shestivska, Violetta - Knížek, Antonín - Kubelík, Petr - Šponer, Jiří - Petera, L. - Křivková, A. - Cassone, Giuseppe - Vaculovičová, M. - Šponer, Judit E. - Ferus, Martin
Prebiotic synthesis at impact craters: the role of Fe-clays and iron meteorites.
Chemical Communications. Roč. 55, č. 71 (2019), s. 10563-10566. ISSN 1359-7345. E-ISSN 1364-548X
R&D Projects: GA ČR GA17-05076S; GA MŠMT EF16_019/0000778
Institutional support: RVO:61388955 ; RVO:68081707
Keywords : high-energy chemistry * formamide * nucleobases * origin * life * montmorillonite * adsorption * catalysis
OECD category: Physical chemistry; Physical chemistry (BFU-R)
Impact factor: 5.996, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0302163File Download Size Commentary Version Access 0511928.pdf 6 1.9 MB Publisher’s postprint require - 4.0511610 - BFÚ 2020 RIV GB eng J - Journal Article
Cassone, Giuseppe - Šponer, Jiří - Trusso, S. - Saija, F.
Ab initio spectroscopy of water under electric fields.
Physical Chemistry Chemical Physics. Roč. 21, č. 38 (2019), s. 21205-21212. ISSN 1463-9076. E-ISSN 1463-9084
Institutional support: RVO:68081707
Keywords : hydrogen-bond dynamics * liquid water * aqueous-solutions * functional theory * raman-spectra
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 3.430, year: 2019
Method of publishing: Limited access
https://pubs.rsc.org/en/content/articlelanding/2019/CP/C9CP03101D#!divAbstract
Permanent Link: http://hdl.handle.net/11104/0301852 - 5.0510273 - BFÚ 2020 RIV US eng J - Journal Article
Cassone, Giuseppe - Sofia, A. - Rinaldi, G. - Šponer, Jiří
Catalyst-Free Hydrogen Synthesis from Liquid Ethanol: An ab Initio Molecular Dynamics Study.
Journal of Physical Chemistry C. Roč. 123, č. 14 (2019), s. 9202-9208. ISSN 1932-7447. E-ISSN 1932-7455
Institutional support: RVO:68081707
Keywords : oriented electric-fields * functional theory * aqueous-solutions * water * polarization * photocatalyst
OECD category: Nano-materials (production and properties)
Impact factor: 4.189, year: 2019
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jpcc.9b01037
Permanent Link: http://hdl.handle.net/11104/0300788 - 6.0510271 - BFÚ 2020 GB eng J - Journal Article
Cassone, Giuseppe - Kruse, Holger - Šponer, Jiří
Interactions between cyclic nucleotides and common cations: an ab initio molecular dynamics study.
Physical Chemistry Chemical Physics. Roč. 21, č. 15 (2019), s. 8121-8132. ISSN 1463-9076. E-ISSN 1463-9084
Keywords : aqueous-solutions * nucleic-acids * structural stability * ionic-diffusion * proton-transfer
Impact factor: 3.430, year: 2019
Method of publishing: Limited access
https://pubs.rsc.org/en/content/articlelanding/2019/CP/C8CP07492E#!divAbstract
Permanent Link: http://hdl.handle.net/11104/0300785 - 7.0509618 - BFÚ 2020 RIV US eng J - Journal Article
Cassone, Giuseppe - Chille, D. - Giacobello, F. - Giuffre, O. - Nardo, V. M. - Ponterio, R.C. - Saija, F. - Šponer, Jiří - Trusso, S. - Foti, C.
Interaction between As(III) and Simple Thioacids in Water: An Experimental and ab Initio Molecular Dynamics Investigation.
Journal of Physical Chemistry B. Roč. 123, č. 28 (2019), s. 6090-6098. ISSN 1520-6106. E-ISSN 1520-5207
Institutional support: RVO:68081707
Keywords : complex-formation * arsenic binding * proton-transfer
OECD category: Physical chemistry
Impact factor: 2.857, year: 2019
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jpcb.9b04901
Permanent Link: http://hdl.handle.net/11104/0300307 - 8.0508019 - ÚFCH JH 2020 RIV FR eng J - Journal Article
Ferus, Martin - Pietrucci, F. - Saitta, A. M. - Ivanek, Ondřej - Knížek, Antonín - Kubelík, Petr - Krůs, Miroslav - Juha, Libor - Dudžák, Roman - Dostál, Jan - Pastorek, Adam - Petera, L. - Hrncirova, J. - Saeidfirozeh, Homa - Shestivska, Violetta - Šponer, Jiří - Šponer, Judit E. - Rimmer, P. - Civiš, Svatopluk - Cassone, Giuseppe
Prebiotic synthesis initiated in formaldehyde by laser plasma simulating high-velocity impacts.
Astronomy & Astrophysics. Roč. 626, JUN 2019 (2019), č. článku A52. ISSN 0004-6361. E-ISSN 1432-0746
R&D Projects: GA ČR GA17-05076S
Institutional support: RVO:61388955 ; RVO:68081707 ; RVO:61389021
Keywords : organic-molecules * infrared-spectra * building-blocks * amino-acids * basis-sets * formamide * origin * chemistry
OECD category: Physical chemistry; Fluids and plasma physics (including surface physics) (UFP-V); Astronomy (including astrophysics,space science) (BFU-R)
Impact factor: 5.636, year: 2019
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0298975File Download Size Commentary Version Access 0508019.pdf 9 3 MB open access Publisher’s postprint open-access - 9.0504501 - BFÚ 2020 RIV GB eng J - Journal Article
Cassone, Giuseppe - Creazzo, F. - Saija, F.
Ionic diffusion and proton transfer of MgCl2 and CaCl2 aqueous solutions: an ab initio study under electric field.
Molecular Simulation. Roč. 45, č. 4-5 (2019), s. 373-380, č. článku 014501. ISSN 0892-7022. E-ISSN 1029-0435
Institutional support: RVO:68081707
Keywords : molecular-dynamics * sodium-chloride * water ices * metal-ions
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 1.716, year: 2019
Method of publishing: Limited access
https://www.tandfonline.com/doi/full/10.1080/08927022.2018.1513650
Permanent Link: http://hdl.handle.net/11104/0296119 - 10.0502424 - BFÚ 2019 RIV GB eng J - Journal Article
Cassone, Giuseppe - Chille, D. - Foti, G. - Giuffreda, E. - Ponterio, R.C. - Šponer, Jiří - Saija, F.
Stability of hydrolytic arsenic species in aqueous solutions: As3+ vs. As5+.
Physical Chemistry Chemical Physics. Roč. 20, č. 36 (2018), s. 23272-23280. ISSN 1463-9076. E-ISSN 1463-9084
Institutional support: RVO:68081707
Keywords : thermodynamic parameters * proton-transfer * natural-waters * simulation
OECD category: Physical chemistry
Impact factor: 3.567, year: 2018
Permanent Link: http://hdl.handle.net/11104/0294356