Search results
- 1.0502591 - ÚGN 2020 RIV NL eng J - Journal Article
Kalus, R. - Janeček, Ivan - Gadéa, F. X.
Non-adiabatic dynamics combining Ehrenfest, decoherence, and multiscale approaches applied to ionic rare-gas clusters photodissociation, post-ionization fragmentation, and collisions.
Computational and Theoretical Chemistry. Roč. 1153, 1 April 2019 (2019), s. 54-64. ISSN 2210-271X. E-ISSN 1872-7999
R&D Projects: GA MŠMT(CZ) LO1406; GA MŠMT(CZ) LM2015084
Grant - others:Ga MŠk(CZ) LM2015070
Institutional support: RVO:68145535
Keywords : non-adiabatic dynamics * mean-field approach * diatomics-in-molecules * rare-gas cluster cations
OECD category: Chemical process engineering
Impact factor: 1.605, year: 2019
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S2210271X19300611?via%3Dihub
Permanent Link: http://hdl.handle.net/11104/0294493File Download Size Commentary Version Access UGN_0502591.pdf 0 831 KB Author´s preprint require - 2.0478084 - ÚGN 2018 RIV GB eng J - Journal Article
Janeček, Ivan - Stachoň, M. - Gadéa, F. X. - Kalus, R.
Fragmentation of KrN+ clusters after electron impact ionization II. Long-time dynamics simulations of Kr7+ evolution and the role of initial electronic excitation.
Physical Chemistry Chemical Physics. Roč. 19, č. 37 (2017), s. 25423-25440. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT ED2.1.00/03.0082; GA MŠMT(CZ) LO1406
Institutional support: RVO:68145535
Keywords : atomic clusters * molecular physics * computer simulations
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 3.906, year: 2017
http://pubs.rsc.org/en/content/articlelanding/2014/cp/c7cp03940a#!divAbstract
Permanent Link: http://hdl.handle.net/11104/0274284File Download Size Commentary Version Access UGN_0478084.pdf 7 3.8 MB Publisher’s postprint require - 3.0469198 - ÚGN 2018 RIV GB eng J - Journal Article
Janeček, Ivan - Naar, P. - Stachoň, M. - Gadéa, F. X. - Kalus, R.
Fragmentation of KrN+ clusters after electron impact ionization. Short-time dynamics simulations and approximate multi-scale treatment.
Physical Chemistry Chemical Physics. Roč. 19, č. 4 (2017), s. 2778-2790. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT ED2.1.00/03.0082; GA MŠMT(CZ) LO1406
Institutional support: RVO:68145535
Keywords : atomic clusters * molecular physics * computer simulations
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 3.906, year: 2017
http://pubs.rsc.org/en/content/articlelanding/2017/cp/c6cp07479k#!divAbstract
Permanent Link: http://hdl.handle.net/11104/0267024File Download Size Commentary Version Access UGN_0469198.pdf 10 3.8 MB Publisher’s postprint require - 4.0388544 - ÚGN 2013 RIV US eng J - Journal Article
Janeček, Ivan - Janča, T. - Naar, P. - Kalus, R. - Gadéa, F. X.
Multiscale approach combining nonadiabatic dynamics with long-time radiative and non-radiative decay: Dissociative ionization of heavy rare-gas tetramers revisited.
Journal of Chemical Physics. Roč. 138, č. 4 (2013), s. 1-12. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA MŠMT ED2.1.00/03.0082
Institutional support: RVO:68145535
Keywords : atomic clusters * electromagnetic decays * electron impact dissociation * electron impact ionisation * isomerism * krypton * nonradiative transitions * xenon
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.122, year: 2013
http://jcp.aip.org/resource/1/jcpsa6/v138/i4/p044303_s1?isAuthorized=no
Permanent Link: http://hdl.handle.net/11104/0217446File Download Size Commentary Version Access UGN_0388544.pdf 6 870.4 KB Publisher’s postprint open-access - 5.0328799 - ÚFCH JH 2010 RIV DE eng J - Journal Article
Milko, Petr - Kalus, R. - Paidarová, Ivana - Hrušák, Jan - Gadéa, F. X.
Ab initio excited states calculations of Kr3+, probing semi-empirical modelling.
["Ab initio" výpočty excitovaných stavů Kr3+ : Ověření semi-empirických modelů.]
Theoretical Chemistry Accounts. -, 23 June (2009), s. 25. ISSN 1432-881X. E-ISSN 1432-2234
R&D Projects: GA AV ČR IAA100400501
Institutional research plan: CEZ:AV0Z40400503
Keywords : cluster modelling * rare gas ions * ab initio potential energie * evaporation energies
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.584, year: 2009
http://www.springerlink.com/content/100493/?Content+Status=Accepted&sort=p_OnlineDate&sortorder=desc&v=condensed&o=20
Permanent Link: http://hdl.handle.net/11104/0175014 - 6.0309663 - ÚFCH JH 2009 RIV US eng J - Journal Article
Karlický, F. - Lepetit, B. - Kalus, R. - Paidarová, Ivana - Gadéa, F. X.
Modeling of He-N(+) clusters. II. Calculation of He-3(+) vibrational spectrum.
[Modelování klastrů He-N(+). II. Výpočty vibračního spektra He3+.]
Journal of Chemical Physics. Roč. 128, č. 12 (2008), 124303-1-11. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA203/04/2146
Institutional research plan: CEZ:AV0Z40400503
Keywords : potential energy surface * ab-initio calculation * near-infrared spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.149, year: 2008
Permanent Link: http://hdl.handle.net/11104/0161729 - 7.0181258 - UFCH-W 20010174 RIV GB eng J - Journal Article
Durand, P. - Paidarová, Ivana - Gadéa, F. X.
Theory of Fano Profiles.
Journal of Physics B-Atomic Molecular and Optical Physics. Roč. 34, - (2001), s. 1953-1966. ISSN 0953-4075. E-ISSN 1361-6455
R&D Projects: GA ČR GA203/00/1025
Institutional research plan: CEZ:AV0Z4040901
Keywords : wave operators * Green functions * effectiv Hamiltonian
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.046, year: 2001
Permanent Link: http://hdl.handle.net/11104/0077841 - 8.0180900 - UFCH-W 20000091 RIV GB eng J - Journal Article
Durand, P. - Gadéa, F. X. - Paidarová, Ivana
Computational Determination of Wave Operators from Large Hamiltonian Matrices.
Physical Chemistry Chemical Physics. Roč. 2, č. 13 (2000), s. 2829-2836. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA203/00/1025
Grant - others:CZ-FR BARRANDE(XC) 99031-2
Institutional research plan: CEZ:AV0Z4040901; CEZ:A54/98:Z4-040-9-ii
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.653, year: 2000
Permanent Link: http://hdl.handle.net/11104/0077519 - 9.0093067 - ÚFCH JH 2008 RIV NL eng J - Journal Article
Paidarová, Ivana - Polák, Rudolf - Paulíková, B. - Karlický, F. - Oleksy, K. - Hrivňák, D. - Gadéa, F. X. - Kalus, R.
Modeling of He+N clusters I. Ab initio and analytical potential energy surfaces for the ground state and two lowest excited states of He+3
[Modelování iontových klastrů He I: Ab initio povrchy potenciální energie základního a 2 excitovaných stavů He3.]
Chemical Physics. Roč. 342, 1-3 (2007), s. 64-70. ISSN 0301-0104. E-ISSN 1873-4421
R&D Projects: GA ČR GA203/04/2146
Grant - others:European Science Foundation(XE) EIPAM 1043; GA MŠk 1N04125
Institutional research plan: CEZ:AV0Z40400503
Source of funding: R - Framework programmes of European Commission
Keywords : helium * trimer cation * ab initio potential energy surface
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.805, year: 2007
Permanent Link: http://hdl.handle.net/11104/0153208