O PPG-F\u00edsica convida a comunidade de estudantes e Professores da UFPel para o semin\u00e1rio do Dr. Glaucio R. Nagurniak, P\u00f3s-Doutorando do PPG-F\u00edsica sob supervis\u00e3o do Prof. Maur\u00edcio Jeomar Piotrowski.<\/p>\n
O PPG-F\u00edsica ter\u00e1 o prazer de receb\u00ea-lo para ministrar o semin\u00e1rio conforme informa\u00e7\u00f5es abaixo:<\/p>\n
**********<\/p>\n
\u201cThe ability of Ex2Box 4+ to interact with guests containing \u03c0-electron-rich and \u03c0-electron-poor moieties\u201d<\/strong>.<\/p>\n The ability of Ex2Box 4+ as a host, able to trap guests containing both \u03c0-electron rich (polycyclic aromatic hydrocarbons-PAHs) and \u03c0-electron poor (quinoid- and nitro-PAHs) moieties was investigated to shed light on the main factors that control the host\u2013guest (HG) interaction. The nature of the HG interactions was elucidated by energy decomposition (EDA-NOCV), noncovalent interaction (NCI), and magnetic response analyses. EDA-NOCV reveals that dispersion contributions are the most significant to sustain the HG interaction, while electrostatic and orbital contributions are very tiny. In fact, no significant covalent character in the HG interactions was observed. The obtained results point strictly to NCIs, modulated by dispersion contributions. **********<\/p>\n Data: quinta-feira, 17\/05.<\/p>\n Hor\u00e1rio: 14h.<\/p>\n Sala 114, Pr\u00e9dio 16, Campus Cap\u00e3o do Le\u00e3o<\/p>\n ********** O PPG-F\u00edsica convida a comunidade de estudantes e Professores da UFPel para o semin\u00e1rio do Dr. Glaucio R. Nagurniak, P\u00f3s-Doutorando do PPG-F\u00edsica sob supervis\u00e3o do Prof. Maur\u00edcio Jeomar Piotrowski. O PPG-F\u00edsica ter\u00e1 o prazer de receb\u00ea-lo para ministrar o semin\u00e1rio conforme informa\u00e7\u00f5es abaixo: ********** \u201cThe ability of Ex2Box 4+ to interact with guests containing \u03c0-electron-rich … Continue lendo Semin\u00e1rio 02\/2018 do PPG-F\u00edsica \u2013 Palestrante convidado Dr. Glaucio R. Nagurniak<\/span>
\nRegardless of whether the guests contain \u03c0-electron-rich or p-electron-poor moieties, and no significant charge-transfer was observed. All in all, HG interactions are predominantly modulated
\nby \u03c0- \u03c0 stacking.<\/p>\n
\n<\/span><\/p>\n","protected":false},"excerpt":{"rendered":"