Search results
- 1.0564856 - FZÚ 2023 RIV US eng J - Journal Article
Zhang, T. - Svensson, P.H.W. - Brumboiu, I.E. - Lanzilotto, V. - Grazioli, C. - Guarnaccio, A. - Johansson, F.O.L. - Beranová, Klára - Coreno, M. - De Simone, M. - Floreano, L. - Cossaro, A. - Brena, B. - Puglia, C.
Clarifying the adsorption of triphenylamine on Au(111): Filling the HOMO-LUMO gap.
Journal of Physical Chemistry C. Roč. 126, č. 3 (2022), s. 1635-1643. ISSN 1932-7447. E-ISSN 1932-7455
Institutional support: RVO:68378271
Keywords : TPA * Au(111) * NEXAFS * unoccupied electronic states * HOMO-LUMO gap
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.7, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0336429File Download Size Commentary Version Access 0564856.pdf 1 3.9 MB CC licence Publisher’s postprint open-access - 2.0546237 - FZÚ 2022 RIV US eng J - Journal Article
Cahlík, Aleš - Hellerstedt, Jack - Mendieta Moreno, Jesús Ignacio - Švec, Martin - Santhini, Vijai M. - Pascal, S. - Soler-Polo, D. - Erlingsson, S.I. - Výborný, Karel - Mutombo, Pingo - Maršálek, M. - Siri, O. - Jelínek, Pavel
Significance Of nuclear quantum effects in hydrogen bonded molecular chains.
ACS Nano. Roč. 15, č. 6 (2021), s. 10357-10365. ISSN 1936-0851. E-ISSN 1936-086X
R&D Projects: GA MŠMT LM2018110; GA ČR(CZ) GX20-13692X
Grant - others:AV ČR(CZ) AP1601
Program: Akademická prémie - Praemium Academiae
Institutional support: RVO:68378271
Keywords : nuclear quantum effects * scanning probe microscopy * proton tunneling * in-gap electronic states
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 18.027, year: 2021
Method of publishing: Limited access
https://doi.org/10.1021/acsnano.1c02572
Permanent Link: http://hdl.handle.net/11104/0322784 - 3.0537021 - FZÚ 2021 RIV GB eng J - Journal Article
Šebelík, V. - Kloz, Miroslav - Rebarz, Mateusz - Přeček, Martin - Kang, E.-H. - Choi, T.-L. - Christensen, R.L. - Polívka, T.
Spectroscopy and excited state dynamics of nearly infinite polyenes.
Physical Chemistry Chemical Physics. Roč. 22, č. 32 (2020), s. 17867-17879. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT EF15_003/0000447
Grant - others:OP VVV - ELIBIO(XE) CZ.02.1.01/0.0/0.0/15_003/0000447
Research Infrastructure: ELI Beamlines III - 90141
Institutional support: RVO:68378271
Keywords : lying electronic states * optical spectroscopy * ultrafast dynamics * alkylidene complexes * s-asterisk * light * carotenoids * cyclopolymerization * chain * absorption
OECD category: Biophysics
Impact factor: 3.676, year: 2020
Method of publishing: Limited access
https://doi.org/10.1039/d0cp02465a
Permanent Link: http://hdl.handle.net/11104/0314779 - 4.0517569 - ÚFCH JH 2020 RIV US eng J - Journal Article
Antalík, Andrej - Veis, Libor - Brabec, Jiří - Demel, Ondřej - Legeza, Ö. - Pittner, Jiří
Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen).
Journal of Chemical Physics. Roč. 151, č. 8 (2019), č. článku 084112. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA16-12052S; GA ČR(CZ) GJ18-18940Y; GA MŠMT(CZ) LTAUSA17033
Institutional support: RVO:61388955
Keywords : matrix renormalization-group * multireference perturbation-theory * correlated molecular calculations * consistent basis-sets * gaussian-basis sets * ab-initio * configuration-interaction * electronic states * equations * moments
OECD category: Physical chemistry
Impact factor: 2.991, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0302897File Download Size Commentary Version Access 0517569.pdf 1 2.1 MB Publisher’s postprint require - 5.0508743 - ÚFP 2020 RIV GB eng J - Journal Article
Li, Z. - Inhester, L. - Liekhus-Schmaltz, C. - Curchod, B.F.E. - Snyder Jr., J.W. - Medvedev, Nikita - Cryan, J.P. - Osipov, T. - Pabst, S. - Vendrell, O. - Bucksbaum, P. - Martínez, T. J.
Ultrafast isomerization in acetylene dication after carbon K-shell ionization.
Nature Communications. Roč. 8, September (2017), č. článku 453. E-ISSN 2041-1723
R&D Projects: GA MŠMT(CZ) LM2015083; GA MŠMT LG15013
Institutional support: RVO:61389021
Keywords : molecular-dynamics * conical intersection * electronic states * ab-initio * vinylidene
OECD category: Fluids and plasma physics (including surface physics)
Impact factor: 12.353, year: 2017
Method of publishing: Open access
https://www.nature.com/articles/s41467-017-00426-6
Permanent Link: http://hdl.handle.net/11104/0299570File Download Size Commentary Version Access Ultrafast isomerization in acetylene dication after carbon K-shell ionization.pdf 1 1.7 MB Publisher’s postprint require - 6.0496880 - FZÚ 2019 RIV CH eng B - Monography
Hönerlage, B. - Pelant, Ivan
Symmetry and symmetry-breaking in semiconductors. Fine structure of exciton states.
Cham: Springer International Publishing AG, 2018. 240 s. Springer Tracts in Modern Physics, 279. ISBN 978-3-319-94234-6. ISSN 0081-3869
R&D Projects: GA MŠMT LM2015087; GA ČR(CZ) GBP108/12/G108
Institutional support: RVO:68378271
Keywords : semiconductors * symmetry * electronic states * group theory * Hamiltonian * excitons
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Permanent Link: http://hdl.handle.net/11104/0289579 - 7.0487226 - FZÚ 2018 RIV GB eng J - Journal Article
Li, Z. - Inhester, L. - Liekhus-Schmaltz, C. - Curchod, B.F.E. - Snyder Jr., J.W. - Medvedev, Nikita - Cryan, J.P. - Osipov, T. - Pabst, S. - Vendrell, O. - Bucksbaum, P. - Martinez, T.J.
Ultrafast isomerization in acetylene dication after carbon K-shell ionization.
Nature Communications. Roč. 8, č. 1 (2017), s. 1-7, č. článku 453. E-ISSN 2041-1723
R&D Projects: GA MŠMT LG15013
Institutional support: RVO:68378271
Keywords : molecular-dynamics * conical intersection * electronic states * ab-initio * vinylidene
OECD category: Fluids and plasma physics (including surface physics)
Impact factor: 12.353, year: 2017
Permanent Link: http://hdl.handle.net/11104/0281903File Download Size Commentary Version Access 0487226.pdf 6 1.7 MB CC licence Publisher’s postprint open-access - 8.0484085 - ÚFCH JH 2018 RIV US eng J - Journal Article
Pederzoli, Marek - Pittner, Jiří
A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene.
Journal of Chemical Physics. Roč. 146, č. 11 (2017), č. článku 114101. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GAP208/12/0559
Institutional support: RVO:61388955
Keywords : configuration-interaction method * potential-energy surfaces * excited-state dynamics * photodissociation dynamics * electronic states * quantum dynamics
OECD category: Physical chemistry
Impact factor: 2.843, year: 2017
Permanent Link: http://hdl.handle.net/11104/0279279File Download Size Commentary Version Access 0484085.pdf 6 1.8 MB Publisher’s postprint require - 9.0483073 - FZÚ 2018 RIV CH eng M - Monography Chapter
Šmydke, Jan - Ajay, J. - Remacle, F. - Levine, R.D.
Electronic and nuclear dynamics for a non-equilibrium electronic state: The ultrafast pumping of N2.
Quantum Systems in Physics, Chemistry, and Biology. Cham: Springer International Publishing, 2017 - (Tadjer, A.; Pavlov, R.; Maruani, J.; Brändas, E.; Delgado-Barrio, G.), s. 195-208. Advances in concepts and applications, 30. ISBN 978-3-319-50255-7
Grant - others:COST(XE) CM1405; COST(XE) CM1204
Institutional support: RVO:68378271
Keywords : non-stationary electronic states * ultrafast molecular dynamics * coherent electronic state * diabatic electronic states
OECD category: Fluids and plasma physics (including surface physics)
Permanent Link: http://hdl.handle.net/11104/0278485 - 10.0476131 - ÚOCHB 2018 RIV DE eng J - Journal Article
Jovanovic, M. - Antic, D. - Rooklin, D. - Bande, A. - Michl, Josef
Intuitive Understanding of sigma Delocalization in Loose and sigma Localization in Tight Helical Conformations of an Oligosilane Chain.
Chemistry-An Asian Journal. Roč. 12, č. 11 (2017), s. 1250-1263. ISSN 1861-4728. E-ISSN 1861-471X
Institutional support: RVO:61388963
Keywords : electron delocalization * electron localization * electronic states * oligosilanes * sigma conjugation
OECD category: Organic chemistry
Impact factor: 3.692, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272659