Search results
- 1.0489832 - ÚOCHB 2019 RIV DE eng J - Journal Article
Jaroš, Adam - Badri, Z. - Bora, P. L. - Bonab, E. F. - Marek, R. - Straka, Michal - Foroutan-Nejad, C.
How Does a Container Affect Acidity of its Content: Charge-Depletion Bonding Inside Fullerenes.
Chemistry - A European Journal. Roč. 24, č. 17 (2018), s. 4245-4249. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR(CZ) GA17-07091S
Institutional support: RVO:61388963
Keywords : ab initio calculations * acidity * chemical bond theory * fullerenes
OECD category: Physical chemistry
Impact factor: 5.160, year: 2018
Permanent Link: http://hdl.handle.net/11104/0284165 - 2.0478265 - ÚOCHB 2018 RIV US eng J - Journal Article
Novotný, J. - Vícha, J. - Bora, P. L. - Repisky, M. - Straka, Michal - Komorovsky, S. - Marek, R.
Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling.
Journal of Chemical Theory and Computation. Roč. 13, č. 8 (2017), s. 3586-3601. ISSN 1549-9618. E-ISSN 1549-9626
Institutional support: RVO:61388963
Keywords : density functional theory * relativistic double-zeta * chemical shift tensors
OECD category: Physical chemistry
Impact factor: 5.399, year: 2017
http://pubs.acs.org/doi/full/10.1021/acs.jctc.7b00444
Permanent Link: http://hdl.handle.net/11104/0274390