Search results
- 1.0571079 - ÚOCHB 2024 RIV GB eng J - Journal Article
Vícha, Jan - Vaara, J. - Straka, Michal
The essential role of symmetry in understanding 3He chemical shifts in endohedral helium fullerenes.
Physical Chemistry Chemical Physics. Roč. 25, č. 15 (2023), s. 10620-10627. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA21-17806S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : nuclear magnetic resonance * ring currents * NMR
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1039/D3CP00256J
Permanent Link: https://hdl.handle.net/11104/0342382 - 2.0532381 - ÚOCHB 2021 RIV DE eng J - Journal Article
Vícha, Jan - Švec, P. - Růžičková, Z. - Samsonov, M. A. - Bártová, Kateřina - Růžička, A. - Straka, Michal - Dračínský, Martin
Experimental and Theoretical Evidence of Spin‐Orbit Heavy Atom on the Light Atom 1H NMR Chemical Shifts Induced through H⋅⋅⋅I− Hydrogen Bond.
Chemistry - A European Journal. Roč. 26, č. 40 (2020), s. 8698-8702. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR(CZ) GA20-01472S; GA MŠMT(CZ) LTAUSA19148
Institutional support: RVO:61388963
Keywords : DFT calculations * hydrogen bonding * NMR spectroscopy * relativistic effects * spin-orbit coupling
OECD category: Organic chemistry
Impact factor: 5.236, year: 2020
Method of publishing: Limited access
https://doi.org/10.1002/chem.202001532
Permanent Link: http://hdl.handle.net/11104/0310883 - 3.0531939 - ÚOCHB 2021 RIV DE eng J - Journal Article
Dračínský, Martin - Vícha, Jan - Bártová, Kateřina - Hodgkinson, P.
Towards Accurate Predictions of Proton NMR Spectroscopic Parameters in Molecular Solids.
ChemPhysChem. Roč. 21, č. 18 (2020), s. 2075-2083. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA ČR(CZ) GA20-01472S
Institutional support: RVO:61388963
Keywords : amino acids * density functional calculations * molecular dynamics * NMR spectroscopy * solid state
OECD category: Physical chemistry
Impact factor: 3.102, year: 2020
Method of publishing: Limited access
https://doi.org/10.1002/cphc.202000629
Permanent Link: http://hdl.handle.net/11104/0310570