A Supramolecular Perspective of Coordination Effects on Fluorine Interactions
Аутори
Petković Benazzouz, Marija M.Rakić, Aleksandra A.
Trišović, Nemanja P.
Zarić, Božidarka
Janjić, Goran V.
Скуп података (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Statistical analysis of the geometric parameters used for the description of noncovalent interactions involving the fluorine atom in crystal structures extracted from the CSD, the crystal packing, the model systems extracted from the crystal structure or obtained by reduction of the structures and interactions between different parts of the crystal structures (C−H/F, F/F, C−H/π, and F/π interactions), the total interaction energy, calculation of CCSD(T)/CBS interaction energies, Hartree−Fock energy and dispersion energy calculated at model system extracted from the crystal structure with refcode MINMAZ, and the analysis of the topological parame- ters by quantum theory of atoms in molecules (QTAIM).
Извор:
Crystal Growth and Design, 2021, 21, 11, SI 001-Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200017 (Универзитет у Београду, Институт за нуклеарне науке Винча, Београд-Винча) (RS-MESTD-inst-2020-200017)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200146 (Универзитет у Београду, Факултет за физичку хемију) (RS-MESTD-inst-2020-200146)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200135 (Универзитет у Београду, Технолошко-металуршки факултет) (RS-MESTD-inst-2020-200135)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200026 (Универзитет у Београду, Институт за хемију, технологију и металургију - ИХТМ) (RS-MESTD-inst-2020-200026)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200162 (Универзитет у Београду, Физички факултет) (RS-MESTD-inst-2020-200162)
Напомена:
- Supplementary material for: http://dx.doi.org/10.1021/acs.cgd.1c00584
- Related to published version: https://vinar.vin.bg.ac.rs/handle/123456789/9989
Повезане информације:
- Друга верзија
https://vinar.vin.bg.ac.rs/handle/123456789/9989 - Друга верзија
http://dx.doi.org/10.1021/acs.cgd.1c00584
DOI: 10.1021/acs.cgd.1c00584
ISSN: 1528-7483
WoS: 000715841000014
Scopus: 2-s2.0-85117466245
Колекције
Институција/група
VinčaTY - DATA AU - Petković Benazzouz, Marija M. AU - Rakić, Aleksandra A. AU - Trišović, Nemanja P. AU - Zarić, Božidarka AU - Janjić, Goran V. PY - 2021 UR - https://vinar.vin.bg.ac.rs/handle/123456789/9996 AB - Statistical analysis of the geometric parameters used for the description of noncovalent interactions involving the fluorine atom in crystal structures extracted from the CSD, the crystal packing, the model systems extracted from the crystal structure or obtained by reduction of the structures and interactions between different parts of the crystal structures (C−H/F, F/F, C−H/π, and F/π interactions), the total interaction energy, calculation of CCSD(T)/CBS interaction energies, Hartree−Fock energy and dispersion energy calculated at model system extracted from the crystal structure with refcode MINMAZ, and the analysis of the topological parame- ters by quantum theory of atoms in molecules (QTAIM). T2 - Crystal Growth and Design T1 - A Supramolecular Perspective of Coordination Effects on Fluorine Interactions VL - 21 IS - 11 SP - SI 001 DO - 10.1021/acs.cgd.1c00584 ER -
@misc{ author = "Petković Benazzouz, Marija M. and Rakić, Aleksandra A. and Trišović, Nemanja P. and Zarić, Božidarka and Janjić, Goran V.", year = "2021", abstract = "Statistical analysis of the geometric parameters used for the description of noncovalent interactions involving the fluorine atom in crystal structures extracted from the CSD, the crystal packing, the model systems extracted from the crystal structure or obtained by reduction of the structures and interactions between different parts of the crystal structures (C−H/F, F/F, C−H/π, and F/π interactions), the total interaction energy, calculation of CCSD(T)/CBS interaction energies, Hartree−Fock energy and dispersion energy calculated at model system extracted from the crystal structure with refcode MINMAZ, and the analysis of the topological parame- ters by quantum theory of atoms in molecules (QTAIM).", journal = "Crystal Growth and Design", title = "A Supramolecular Perspective of Coordination Effects on Fluorine Interactions", volume = "21", number = "11", pages = "SI 001", doi = "10.1021/acs.cgd.1c00584" }
Petković Benazzouz, M. M., Rakić, A. A., Trišović, N. P., Zarić, B.,& Janjić, G. V.. (2021). A Supramolecular Perspective of Coordination Effects on Fluorine Interactions. in Crystal Growth and Design, 21(11), SI 001. https://doi.org/10.1021/acs.cgd.1c00584
Petković Benazzouz MM, Rakić AA, Trišović NP, Zarić B, Janjić GV. A Supramolecular Perspective of Coordination Effects on Fluorine Interactions. in Crystal Growth and Design. 2021;21(11):SI 001. doi:10.1021/acs.cgd.1c00584 .
Petković Benazzouz, Marija M., Rakić, Aleksandra A., Trišović, Nemanja P., Zarić, Božidarka, Janjić, Goran V., "A Supramolecular Perspective of Coordination Effects on Fluorine Interactions" in Crystal Growth and Design, 21, no. 11 (2021):SI 001, https://doi.org/10.1021/acs.cgd.1c00584 . .