Search results
- 1.0577432 - ÚOCHB 2024 RIV US eng J - Journal Article
Špirko, Vladimír
Reduced Radial Curves of Diatomic Molecules.
Journal of Chemical Theory and Computation. Roč. 19, č. 20 (2023), s. 7324-7332. ISSN 1549-9618. E-ISSN 1549-9626
Institutional support: RVO:61388963
Keywords : potential-energy curve * dipole-moment function * transition-probabilities
OECD category: Physical chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Open access
https://doi.org/10.1021/acs.jctc.3c00622
Permanent Link: https://hdl.handle.net/11104/0346570 - 2.0570904 - ÚOCHB 2024 RIV US eng J - Journal Article
Civiš, Svatopluk - Lamanec, Maximilián - Špirko, Vladimír - Kubišta, J. - Špeťko, M. - Hobza, Pavel
Hydrogen Bonding with Hydridic Hydrogen–Experimental Low-Temperature IR and Computational Study: Is a Revised Definition of Hydrogen Bonding Appropriate?
Journal of the American Chemical Society. Roč. 145, č. 15 (2023), s. 8550-8559. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GX19-27454X
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : molecular interactions * X-H * charge
OECD category: Physical chemistry
Impact factor: 15, year: 2022
Method of publishing: Open access
https://doi.org/10.1021/jacs.3c00802
Permanent Link: https://hdl.handle.net/11104/0342234 - 3.0570881 - ÚOCHB 2024 RIV GB eng J - Journal Article
Augustovičová, L. D. - Špirko, Vladimír
Radial molecular property functions of NO in its ground electronic state.
Journal of Quantitative Spectroscopy and Radiative Transfer. Roč. 302, July (2023), č. článku 108562. ISSN 0022-4073. E-ISSN 1879-1352
Institutional support: RVO:61388963
Keywords : nitric oxide * potential energy function * fine and hyperfine structure functions * electric dipole moment function * vibrational effects
OECD category: Physical chemistry
Impact factor: 2.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.jqsrt.2023.108562
Permanent Link: https://hdl.handle.net/11104/0342211 - 4.0556979 - ÚOCHB 2023 RIV GB eng J - Journal Article
Lo, Rabindranath - Manna, Debashree - Lamanec, Maximilián - Dračínský, Martin - Bouř, Petr - Wu, Tao - Bastien, Guillaume - Kaleta, Jiří - Miriyala, Vijay Madhav - Špirko, Vladimír - Mašínová, Anna - Nachtigallová, Dana - Hobza, Pavel
The stability of covalent dative bond significantly increases with increasing solvent polarity.
Nature Communications. Roč. 13, č. 1 (2022), č. článku 2107. E-ISSN 2041-1723
R&D Projects: GA ČR(CZ) GX19-27454X; GA ČR(CZ) GA20-10144S; GA ČR(CZ) GA20-13745S; GA ČR(CZ) GA22-15374S
Institutional support: RVO:61388963
Keywords : analyzing vibrational-spectra * charge-transfer * complexes
OECD category: Physical chemistry
Impact factor: 16.6, year: 2022
Method of publishing: Open access
https://doi.org/10.1038/s41467-022-29806-3
Permanent Link: http://hdl.handle.net/11104/0331103 - 5.0556555 - ÚOCHB 2023 RIV DE eng J - Journal Article
Augustovičová, L. D. - Špirko, Vladimír
Relating Binding Energy and Scattering Length of Cold Hybrid Ion-Atom Systems.
Annalen der Physik. Roč. 534, č. 4 (2022), č. článku 2100429. ISSN 0003-3804. E-ISSN 1521-3889
Institutional support: RVO:61388963
Keywords : binding energy * interaction potential * spectral properties * scattering length
OECD category: Physical chemistry
Impact factor: 2.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/andp.202100429
Permanent Link: http://hdl.handle.net/11104/0331093 - 6.0549125 - FZÚ 2022 RIV US eng J - Journal Article
Mallada Faes, Benjamin Jose - Gallardo Caparrós, Aurelio Jesús - Lamanec, Maximilián - De La Torre Cerdeño, Bruno - Špirko, Vladimír - Hobza, Pavel - Jelínek, Pavel
Real-space imaging of anisotropic charge of σ-hole by means of Kelvin probe force microscopy.
Science. Roč. 374, č. 6569 (2021), s. 863-867. ISSN 0036-8075. E-ISSN 1095-9203
R&D Projects: GA MŠMT LM2018110; GA ČR(CZ) GX20-13692X; GA ČR(CZ) GX19-27454X
Grant - others:AV ČR(CZ) AP1601
Program: Akademická prémie - Praemium Academiae
Institutional support: RVO:68378271 ; RVO:61388963
Keywords : KPFM * AFM * anisotropic atomic charges * DFT * van der Walls
OECD category: Physical chemistry; Inorganic and nuclear chemistry (UOCHB-X)
Impact factor: 63.832, year: 2021
Method of publishing: Limited access
https://doi.org/10.1126/science.abk1479
Permanent Link: http://hdl.handle.net/11104/0325151 - 7.0544065 - ÚOCHB 2022 RIV GB eng J - Journal Article
Augustovičová, L. - Špirko, Vladimír
Radial molecular property functions of CH in its ground electronic state.
Journal of Quantitative Spectroscopy and Radiative Transfer. Roč. 272, Sep (2021), č. článku 107809. ISSN 0022-4073. E-ISSN 1879-1352
Institutional support: RVO:61388963
Keywords : methylidyne radical * potential energy function * reduced potential * fine and hyperfine structure functions * mass sensitivity of spectral transitions
OECD category: Physical chemistry
Impact factor: 2.342, year: 2021
Method of publishing: Limited access
https://doi.org/10.1016/j.jqsrt.2021.107809
Permanent Link: http://hdl.handle.net/11104/0321121 - 8.0541488 - ÚOCHB 2022 RIV DE eng J - Journal Article
Augustovičová, L. D. - Špirko, Vladimír
Relating Binding Energy and Scattering Length of Weakly Bound Dimers of Strontium.
Annalen der Physik. Roč. 533, č. 4 (2021), č. článku 2000588. ISSN 0003-3804. E-ISSN 1521-3889
Institutional support: RVO:61388963
Keywords : binding energy * interaction potential * mass sensitivity of spectral properties * scattering length
OECD category: Physical chemistry
Impact factor: 3.047, year: 2021
Method of publishing: Limited access
https://doi.org/10.1002/andp.202000588
Permanent Link: http://hdl.handle.net/11104/0319053 - 9.0541411 - ÚOCHB 2022 RIV GB eng J - Journal Article
Augustovičová, L. D. - Špirko, Vladimír
Radial molecular property functions of the Asup2/supΣsup+/sup state of hydroxyl.
Journal of Quantitative Spectroscopy and Radiative Transfer. Roč. 266, May (2021), č. článku 107530. ISSN 0022-4073. E-ISSN 1879-1352
Institutional support: RVO:61388963
Keywords : hydroxyl radical * potential energy function * reduced potential * fine and hyperfine structure functions * mass sensitivity of spectral transitions
OECD category: Physical chemistry
Impact factor: 2.342, year: 2021
Method of publishing: Limited access
https://doi.org/10.1016/j.jqsrt.2021.107530
Permanent Link: http://hdl.handle.net/11104/0318973 - 10.0531250 - ÚOCHB 2021 RIV GB eng J - Journal Article
Augustovičová, L. D. - Špirko, Vladimír
Morphing radial molecular property functions of hydroxyl.
Journal of Quantitative Spectroscopy and Radiative Transfer. Roč. 254, Oct (2020), č. článku 107211. ISSN 0022-4073. E-ISSN 1879-1352
Institutional support: RVO:61388963
Keywords : hydroxyl radical * potential energy function * reduced potential * fine and hyperfine structure functions * line strengths * mass sensitivity of spectral transitions
OECD category: Physical chemistry
Impact factor: 2.468, year: 2020
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S0022407320304337?via%3Dihub
Permanent Link: http://hdl.handle.net/11104/0309945