Study of phenol and toluene stacking interactions, including interactions at large horizontal displacements, in crystal structures and calculated potential energy surfaces
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Here, we searched the Cambridge Structural Database to find interactions of stacking benzene, p-phenol and toluene dimers. Beside this, we calculated interaction energies of phenol and toluene dimers and compared with benzene dimers previously calculated.
Keywords:
Cambridge Structural Database / stacking / interaction energiesSource:
Book of Abstracts - 7th Conference of the Young Chemists of Serbia, 2.11.2019, Belgrade, 2019, 154-154Publisher:
- Serbian Chemical Society
Funding / projects:
- Noncovalent interactions of pi-systems and their role in molecular recognition (RS-MESTD-Basic Research (BR or ON)-172065)
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IHTMTY - CONF AU - Živković, Jelena M. AU - Stanković, Ivana M. AU - Ninković, Dragan B. AU - Zarić, Snežana D. PY - 2019 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/6261 AB - Here, we searched the Cambridge Structural Database to find interactions of stacking benzene, p-phenol and toluene dimers. Beside this, we calculated interaction energies of phenol and toluene dimers and compared with benzene dimers previously calculated. PB - Serbian Chemical Society C3 - Book of Abstracts - 7th Conference of the Young Chemists of Serbia, 2.11.2019, Belgrade T1 - Study of phenol and toluene stacking interactions, including interactions at large horizontal displacements, in crystal structures and calculated potential energy surfaces SP - 154 EP - 154 UR - https://hdl.handle.net/21.15107/rcub_cer_6261 ER -
@conference{ author = "Živković, Jelena M. and Stanković, Ivana M. and Ninković, Dragan B. and Zarić, Snežana D.", year = "2019", abstract = "Here, we searched the Cambridge Structural Database to find interactions of stacking benzene, p-phenol and toluene dimers. Beside this, we calculated interaction energies of phenol and toluene dimers and compared with benzene dimers previously calculated.", publisher = "Serbian Chemical Society", journal = "Book of Abstracts - 7th Conference of the Young Chemists of Serbia, 2.11.2019, Belgrade", title = "Study of phenol and toluene stacking interactions, including interactions at large horizontal displacements, in crystal structures and calculated potential energy surfaces", pages = "154-154", url = "https://hdl.handle.net/21.15107/rcub_cer_6261" }
Živković, J. M., Stanković, I. M., Ninković, D. B.,& Zarić, S. D.. (2019). Study of phenol and toluene stacking interactions, including interactions at large horizontal displacements, in crystal structures and calculated potential energy surfaces. in Book of Abstracts - 7th Conference of the Young Chemists of Serbia, 2.11.2019, Belgrade Serbian Chemical Society., 154-154. https://hdl.handle.net/21.15107/rcub_cer_6261
Živković JM, Stanković IM, Ninković DB, Zarić SD. Study of phenol and toluene stacking interactions, including interactions at large horizontal displacements, in crystal structures and calculated potential energy surfaces. in Book of Abstracts - 7th Conference of the Young Chemists of Serbia, 2.11.2019, Belgrade. 2019;:154-154. https://hdl.handle.net/21.15107/rcub_cer_6261 .
Živković, Jelena M., Stanković, Ivana M., Ninković, Dragan B., Zarić, Snežana D., "Study of phenol and toluene stacking interactions, including interactions at large horizontal displacements, in crystal structures and calculated potential energy surfaces" in Book of Abstracts - 7th Conference of the Young Chemists of Serbia, 2.11.2019, Belgrade (2019):154-154, https://hdl.handle.net/21.15107/rcub_cer_6261 .