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Bil, Andrzej, Latajka, Zdzisław, Hutter, Jürg, Morrison, Carole A. (2014) Describing the chemical bonding in C70 and C70O3 – A quantum chemical topology study. Chemical Physics, 433. 22-30 doi:10.1016/j.chemphys.2014.02.003

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Reference TypeJournal (article/letter/editorial)
TitleDescribing the chemical bonding in C70 and C70O3 – A quantum chemical topology study
JournalChemical Physics
AuthorsBil, AndrzejAuthor
Latajka, ZdzisławAuthor
Hutter, JürgAuthor
Morrison, Carole A.Author
Year2014 (March)Volume433
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2014.02.003Search in ResearchGate
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Mindat Ref. ID5963665Long-form Identifiermindat:1:5:5963665:8
GUID0
Full ReferenceBil, Andrzej, Latajka, Zdzisław, Hutter, Jürg, Morrison, Carole A. (2014) Describing the chemical bonding in C70 and C70O3 – A quantum chemical topology study. Chemical Physics, 433. 22-30 doi:10.1016/j.chemphys.2014.02.003
Plain TextBil, Andrzej, Latajka, Zdzisław, Hutter, Jürg, Morrison, Carole A. (2014) Describing the chemical bonding in C70 and C70O3 – A quantum chemical topology study. Chemical Physics, 433. 22-30 doi:10.1016/j.chemphys.2014.02.003
In(n.d.) Chemical Physics Vol. 433. Elsevier BV

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Bil, Andrzej, Latajka, Zdzisław, Morrison, Carole A. (2014) Density functional theory based molecular dynamics simulations of C70O3 doped with light molecules. Chemical Physics, 428. 121-126 doi:10.1016/j.chemphys.2013.10.011
Bil, Andrzej, Hutter, Jürg, Morrison, Carole A. (2014) Electron transfer modifies chemical properties of C70 fullerene surface: An ab initio molecular dynamics study of C70O3 molozonides doped with light atoms. Chemical Physics Letters, 605. 93-97 doi:10.1016/j.cplett.2014.05.025
Bil, Andrzej, Latajka, Zdzisław (2004) The examination of the hydroperoxy radical and its closed-shell “analogues” by means of topological methods of quantum chemistry: AIM and ELF. Chemical Physics, 303. 43-53 doi:10.1016/j.chemphys.2004.05.020
Bil, Andrzej, Latajka, Zdzisław, Morrison, Carole A. (2009) C70Oxides and Ozonides and the Mechanism of Ozonolysis on the Fullerene Surface. A Theoretical Study. The Journal of Physical Chemistry A, 113 (36). 9891-9898 doi:10.1021/jp9024798
Bil, Andrzej, Latajka, Zdzisław (2004) Examination of the hydroperoxy radical and its closed-shell “analogues” – the protonation sites: topological predictions and ab initio study of the protonated forms. Chemical Physics, 305. 243-252 doi:10.1016/j.chemphys.2004.06.062
Berski, Slawomir, Mierzwicki, Krzysztof, Bil, Andrzej, Latajka, Zdzislaw (2008) The protocovalent NO bond: Quantum chemical topology (QCT of ELF and ELI-D) study on the bonding in the nitrous acid HONO and its relevancy to the experiment. Chemical Physics Letters, 460. 559-562 doi:10.1016/j.cplett.2008.06.051
Bil, Andrzej, Latajka, Zdzisław (2005) Hydroperoxy radical as hydrogen bond donor: NH3–HOO complex – ab initio and topological study. Chemical Physics Letters, 406. 366-370 doi:10.1016/j.cplett.2005.03.022
Bil, Andrzej, Latajka, Zdzisław (2004) The hydroperoxy radical and its closed-shell `analogues': ab initio investigations. Chemical Physics Letters, 388. 158-163 doi:10.1016/j.cplett.2004.02.079
Bil, Andrzej, Morrison, Carole A. (2012) Modifying the Fullerene Surface Using Endohedral Noble Gas Atoms: Density Functional Theory Based Molecular Dynamics Study of C70O3. The Journal of Physical Chemistry A, 116 (13). 3413-3419 doi:10.1021/jp210529y
Bil, Andrzej, Latajka, Zdzisław, Biczysko, Malgorzata (2018) Hydrogen detachment driven by a repulsive 1πσ* state – an electron localization function study of 3-amino-1,2,4-triazole. Physical Chemistry Chemical Physics, 20 (7). 5210-5216 doi:10.1039/c7cp06744e
Berski, Slawomir, Latajka, Zdzisław (2006) Quantum chemical topology description of the hydrogen transfer between the ethynyl radical and ammonia (C2H+NH3) – The electron localization function study. Chemical Physics Letters, 426. 273-279 doi:10.1016/j.cplett.2006.06.049
 
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