Search results
- 1.0517294 - ÚFCH JH 2020 RIV DE eng J - Journal Article
Andris, E. - Navrátil, R. - Jašík, J. - Srnec, Martin - Rodríguez, M. - Costas, M. - Roithová, J.
M-O Bonding Beyond the Oxo Wall: Spectroscopy and Reactivity of Cobalt(III)-Oxyl and Cobalt(III)-Oxo Complexes.
Angewandte Chemie - International Edition. Roč. 58, č. 28 (2019), s. 9619-9624. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA18-13093S
EU Projects: European Commission(XE) 682275
Institutional support: RVO:61388955
Keywords : terminal oxo * electronic-structure * catalytic-reduction * water oxidation * iron complexes * activation * generation * alkanes * C-H activation * cobalt-oxo complexes
OECD category: Physical chemistry
Impact factor: 12.959, year: 2019
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0302605File Download Size Commentary Version Access 0517294.pdf 8 3.2 MB open access Publisher’s postprint open-access - 2.0507769 - ÚFCH JH 2020 RIV US eng J - Journal Article
Terencio, T. - Andris, E. - Gamba, I. - Srnec, Martin - Costas, M. - Roithová, J.
Chemoselectivity in the Oxidation of Cycloalkenes with a Non-Heme Iron(IV)-Oxo-Chloride Complex: Epoxidation vs. Hydroxylation Selectivity.
Journal of the American Society for Mass Spectrometry. Roč. 30, č. 10 (2019), s. 1923-1933. ISSN 1044-0305. E-ISSN 1879-1123
R&D Projects: GA ČR(CZ) GA18-13093S
EU Projects: European Commission(XE) 682275
Institutional support: RVO:61388955
Keywords : C–H activation * DFT calculations * Epoxidation * Gas-phase reactions * Iron complexes
OECD category: Physical chemistry
Impact factor: 3.255, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0298739File Download Size Commentary Version Access 0507769.pdf 1 894.3 KB Publisher’s postprint require - 3.0502104 - ÚOCHB 2020 RIV DE eng J - Journal Article
Straka, Michal - Andris, E. - Vícha, J. - Růžička, A. - Roithová, J. - Rulíšek, Lubomír
Spectroscopic and Computational Evidence of Intramolecular AuI⋅⋅⋅H+−N Hydrogen Bonding.
Angewandte Chemie - International Edition. Roč. 58, č. 7 (2019), s. 2011-2016. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA17-07091S
Institutional support: RVO:61388963
Keywords : anharmonic spectra * gold(I) carbenes * hydrogen bonding to gold * infrared photodissociation spectroscopy * quantum chemical calculations
OECD category: Physical chemistry
Impact factor: 12.959, year: 2019
Method of publishing: Open access
https://onlinelibrary.wiley.com/doi/full/10.1002/anie.201811982
Permanent Link: http://hdl.handle.net/11104/0296403File Download Size Commentary Version Access 0502104.pdf 8 3.7 MB Publisher’s postprint open-access - 4.0497406 - ÚFCH JH 2019 RIV DE eng J - Journal Article
Srnec, Martin - Navrátil, R. - Andris, E. - Jašík, J. - Roithová, J.
Experimentally Calibrated Analysis of the Electronic Structure of CuO+: Implications for Reactivity.
Angewandte Chemie - International Edition. Roč. 57, č. 52 (2018), s. 17053-17057. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA18-13093S
Institutional support: RVO:61388955
Keywords : Franck–Condon analysis * multireference calculations * photodissociation spectroscopy
OECD category: Physical chemistry
Impact factor: 12.257, year: 2018
Permanent Link: http://hdl.handle.net/11104/0289975File Download Size Commentary Version Access 0497406.pdf 8 2.3 MB Publisher’s postprint require - 5.0489622 - ÚOCHB 2019 RIV US eng J - Journal Article
Andris, E. - Andrikopoulos, Prokopis C. - Schulz, J. - Turek, J. - Růžička, A. - Roithová, J. - Rulíšek, Lubomír
Aurophilic Interactions in [(L)AuCl]···[(L')AuCl] Dimers: Calibration by Experiment and Theory.
Journal of the American Chemical Society. Roč. 140, č. 6 (2018), s. 2316-2325. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GA17-24155S
Institutional support: RVO:61388963
Keywords : N-heterocyclic carbenes * approximate coulomb potentials * auxiliary basis sets
OECD category: Physical chemistry
Impact factor: 14.695, year: 2018
Permanent Link: http://hdl.handle.net/11104/0284006 - 6.0485420 - ÚFCH JH 2019 RIV DE eng J - Journal Article
Andris, E. - Navrátil, R. - Jašík, J. - Sabenya, G. - Costas, M. - Srnec, Martin - Roithová, J.
Detection of Indistinct Fe-N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy.
Chemistry - A European Journal. Roč. 24, č. 20 (2018), s. 5078-5081. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR(CZ) GJ15-10279Y
Institutional support: RVO:61388955
Keywords : photodissociation spectrochemistry * infrared spectra * DFT
OECD category: Physical chemistry
Impact factor: 5.160, year: 2018
Permanent Link: http://hdl.handle.net/11104/0280444File Download Size Commentary Version Access 0485420.pdf 8 1 MB Publisher’s postprint require - 7.0479850 - ÚFCH JH 2018 RIV DE eng J - Journal Article
Andris, E. - Navrátil, R. - Jašík, J. - Sabenya, G. - Costas, M. - Srnec, Martin - Roithová, J.
Spin-State-Controlled Photodissociation of Iron(III) Azide to an Iron(V) Nitride Complex.
Angewandte Chemie - International Edition. Roč. 56, č. 45 (2017), s. 14057-14060. ISSN 1433-7851. E-ISSN 1521-3773
Institutional support: RVO:61388955
Keywords : Ion spectroscopy * Iron(V) nitride * Photodissociation
OECD category: Physical chemistry
Impact factor: 12.102, year: 2017
Permanent Link: http://hdl.handle.net/11104/0275775File Download Size Commentary Version Access 0479850.pdf 1 3 MB Publisher’s postprint require - 8.0471901 - ÚFCH JH 2018 RIV US eng J - Journal Article
Andris, E. - Navrátil, R. - Jašík, J. - Terencio, T. - Srnec, Martin - Costas, M. - Roithová, J.
Chasing the Evasive Fe=O Stretch and the Spin State of the Iron(IV)-Oxo Complexes by Photodissociation Spectroscopy.
Journal of the American Chemical Society. Roč. 139, č. 7 (2017), s. 2757-2765. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GJ15-10279Y
Grant - others:GA MŠk(CZ) LM2010005
Institutional support: RVO:61388955
Keywords : Coordination reactions * Inorganic compounds * Ligands
OECD category: Physical chemistry
Impact factor: 14.357, year: 2017
Permanent Link: http://hdl.handle.net/11104/0269276File Download Size Commentary Version Access 0471901.pdf 7 495.7 KB Publisher’s postprint require