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<!-- in this hgroup are added information on Fernanda qualification defense -->
<hgroup>
<div id="unique-entry-id-9" class="blog-entry">
<h1 class="blog-entry-title"><a href="index_files/c73dc42cfab0c49d1da012ba63b5bb8c-9.html" class="blog-permalink">Qualifying Defense of Fernanda Santos</a>
</h1>
<div class="blog-entry-date">06/12/17 19:10 Filed in: <span class="blog-entry-category">
<a href="index_files/category-defenses.html">Defenses</a></span>
</div>
<div class="blog-entry-body"><p align-"center"><b>Title:</b>
<i>"Efeito Anomérico em Rearranjos de Hurd Claisen e Investigações Termocinéticas de seus Estados de Transição Early e Late"</i><br/>
<b>Adivisor:</b> Heibbe Cristhian Benedito de Oliveira<br/>
<b>Co-adivisor:</b>
<a href="http://lattes.cnpq.br/6580089254529584">Ângelo Henrique de Lira Machado</a><br/>
<b>Committee members:</b>
<a href=" http://lattes.cnpq.br/3892097876321708">Wender Alves Silva</a>
and <a href="http://lattes.cnpq.br/8085209779362242">Luciano Ribeiro</a><br/>
<center>
<h4>Photos</h4><br/>
<img class="imageStyle" alt="IMG_0291" src="index_files/img_0291.jpg" width="807" height="605" /><br/>
<img class="imageStyle" alt="IMG_0292" src="index_files/img_0292.jpg" width="807" height="605" /><br />
<img class="imageStyle" alt="IMG_0289" src="index_files/img_0289.jpg" width="807" height="605" /><br />
<img class="imageStyle" alt="IMG_0298" src="index_files/img_0298.jpg" width="807" height="605" />
</center>
<p class="blog-entry-tags">
Tags: <a href="index_files/tag-fernanda-santos.html" title="Fernanda Santos" rel="tag">
Fernanda Santos</a>,
<a href="index_files/tag-heibbe-oliveira.html" title="Heibbe Oliveira" rel="tag">Heibbe Oliveira</a>
</p>
</div>
</div>
</hgroup>
<!-- in this hgroup are added information on Ueslei qualification defense -->
<hgroup>
<div id="unique-entry-id-8" class="blog-entry">
<h1 class="blog-entry-title">
<a href="index_files/beeeb397cd50f7367fe2d3b61cf9269f-8.html" class="blog-permalink">Qualifying Defense of Ueslei Vasconcelos </a>
</h1>
<div class="blog-entry-date">04/12/17 18:16 Filed in: <span class="blog-entry-category">
<a href="index_files/category-defenses.html">Defenses</a></span>
</div>
<div class="blog-entry-body">
<p align-"center"><b>Title:</b>
<i>"Viabilidade Termodinâmica da Modificação do Band
Gap de Folhas de Grafeno por Intermédio de Cátions Alcalinos:
Uma Abordagem Minimalista Beseada em Propriedades Rovibracionais</i>"<br/>
<b>Adivisor:</b> Heibbe Cristhian Benedito de Oliveira<br />
<b>Committee members:</b>
<a href="http://lattes.cnpq.br/5478396330543815">Elaine Rose Maia</a> and
<a href="http://lattes.cnpq.br/7682661539673935">José Roberto dos Santos Politi</a><br />
<center>
<h4>Photos</h4>
</center>
<img class="imageStyle" alt="IMG_0261" src="index_files/img_0261.jpg" width="600" height="450" /><br />
<img class="imageStyle" alt="IMG_0264" src="index_files/img_0264.jpg" width="600" height="450" /><br />
<img class="imageStyle" alt="IMG_0280" src="index_files/img_0280.jpg" width="600" height="450" /><br />
<img class="imageStyle" alt="ueslei_1" src="index_files/ueslei_1.png" width="600" height="450" />
<img class="imageStyle" alt="ueslei_2" src="index_files/ueslei_2.png" width="600" height="450" />
<img class="imageStyle" alt="ueslei_3" src="index_files/ueslei_3.png" width="600" height="450" />
<img class="imageStyle" alt="ueslei_4" src="index_files/ueslei_4.png" width="600" height="451" />
<p class="blog-entry-tags">
Tags:
<a href="index_files/tag-ueslei-vasconcelos.html" title="Ueslei Vasconcelos" rel="tag">Ueslei Vasconcelos</a>,
<a href="index_files/tag-heibbe-oliveira.html" title="Heibbe Oliveira" rel="tag">Heibbe Oliveira</a>
</p>
</p>
</div>
</div>
</hgroup>
<!-- in this hgroup are added information on Daniel thesis defense -->
<hgroup>
<div id="unique-entry-id-0" class="blog-entry">
<h1 class="blog-entry-title">
<a href="index_files/b603191105103471a3b5449be5d7bc5e-0.html" class="blog-permalink">Thesis Defense of Daniel FS Machado</a>
</h1>
<div class="blog-entry-date">02/08/17 10:55 Filed in: <span class="blog-entry-category">
<a href="index_files/category-defenses.html">Defenses</a></span>
</div>
<div class="blog-entry-body">
<strong>Theme: </strong>
<em>
<a href="http://repositorio.unb.br/handle/10482/25195">Desenvolvimento de Métodos Fisicamente Inspirados para Cálculos de Ótica Não-Linear e Efeitos de Solventes nas Propriedades Óticas Não-Lineares em Derivados de Azo-Enaminonas</a>
</em><br/>
<strong>Advisor: </strong>Prof. Dr. Heibbe CB de Oliveira<br />
<strong>Coadivisor: </strong>Prof. Dr. Demétrio AS Filho<br />
<strong>Committee members:</strong>
<a href="http://lattes.cnpq.br/6682074601211769">Ricardo Gargano</a>,
<a href="http://lattes.cnpq.br/9324906986142829">João Batista Lopes Martins</a> and
<a href="http://lattes.cnpq.br/8085209779362242">Luciano Ribeiro</a><br/>
<center>
<h3>Photos</h3>
</center>
<img class="imageStyle" alt="IMG_3328" src="index_files/img_3328.jpg" width="1344" height="1008" /><br/><br/>
<img class="imageStyle" alt="IMG_3332" src="index_files/img_3332.jpg" width="1344" height="1008" /><br/><br/>
<img class="imageStyle" alt="IMG_3333" src="index_files/img_3333.jpg" width="1344" height="1008" /><br/><br/>
<img class="imageStyle" alt="IMG_1899" src="index_files/img_1899.jpg" width="1344" height="1008" /><br/><br/>
<img class="imageStyle" alt="50960BE5-7CDB-41E6-8E93-3FD8F8760D30" src="index_files/50960be5-7cdb-41e6-8e93-3fd8f8760d30.jpg" width="1344" height="1008" /><br/>
<p class="blog-entry-tags">
Tags:
<a href="index_files/tag-daniel-machado.html" title="Daniel Machado" rel="tag">Daniel Machado</a>,
<a href="index_files/tag-heibbe-oliveira.html" title="Heibbe Oliveira" rel="tag">Heibbe Oliveira</a>
</p>
</div>
</div>
</hgroup>
<!-- in this hgroup are added information on paper New Paper at Journal of The American Society for Mass Spectrometry -->
<hgroup>
<div id="unique-entry-id-4" class="blog-entry">
<h1 class="blog-entry-title">
<a href="index_files/ea26845095deb7b7b29f87832aafd5ce-4.html" class="blog-permalink">New Paper at Journal of The American Society for Mass Spectrometry</a>
</h1>
<div class="blog-entry-date">27/07/17 18:45 Filed in: <span class="blog-entry-category">
<a href="index_files/category-publications.html">Publications</a></span>
</div>
<div class="blog-entry-body">
<p style="text-align:center;">
<center>
<img class="imageStyle" alt="Pasted Graphic 2" src="index_files/pasted-graphic-2.jpg" width="155" height="178" /><br />
<b>
<i>
<a href="https://link.springer.com/article/10.1007%2Fs13361-017-1637-8">Charge-tagged N-heterocyclic
carbenes (NHC): Direct transfer from ionic liquid solutions and long-lived nature in the gas phase
</a>
</b>
</i>
</center><br />
<p align="center">Thyago S. Rodrigues, Denis Lesage, Wender A. da Silva,
Richard B. Cole, Günter Ebeling, Jaïrton Dupont, Heibbe C.
B. de Oliveira, Marcos N. Eberlin, Brenno A. D. Neto</p><br/>
<p align="justify">Negatively charge-tagged N-heterocyclic carbenes
have been formed in solution via deprotonation of imidazolium
ions bearing acid side groups and transferred to the gas phase via
ESI(–)-MS. The structure of the putative and apparently stable
gaseous carbenes formed in such conditions were then probed via reactions
with carbon dioxide using a triple quadrupole mass spectrometer particularly
optimized for ion/molecule reactions of ESI-generated ions. Complete conversion
to imidazolium carboxylates was achieved, which seems to demonstrate the efficiency
of the transfer, the gas-phase stability, and the long-lived nature of these
unprecedented charge-tagged carbenes and their predominance in the ionic population.
Comprehensive studies on the intrinsic reactivity of N-heterocyclic carbenes with silent
charge tags are therefore possible.
</p><br/>
</p>
<p class="blog-entry-tags">Tags: <a href="index_files/tag-heibbe-oliveira.html" title="Heibbe Oliveira" rel="tag">Heibbe Oliveira</a></p>
</div>
</div>
</hgroup>
<!-- in this hgroup are added information on paper: New Paper at Journal of Molecular Modeling -->
<hgroup>
<div id="unique-entry-id-6" class="blog-entry">
<h1 class="blog-entry-title">
<a href="index_files/f74a6fd6abeb438dd001388d401a4a95-6.html" class="blog-permalink">New Paper at Journal of Molecular Modeling</a>
</h1>
<div class="blog-entry-date">30/06/17 18:46 Filed in: <span class="blog-entry-category">
<a href="index_files/category-publications.html">Publications</a></span>
</div>
<div class="blog-entry-body">
<p style="text-align:center;">
<center>
<img class="imageStyle" alt="Pasted Graphic 4" src="index_files/pasted-graphic-4.jpg" width="353" height="287" /><br/>
<b>
<i>
<a href="https://link.springer.com/article/10.1007%2Fs00894-017-3339-3">
A novel analytical potential function for dicationic diatomic molecular systems based on deformed exponential function
</a>
</b>
</i>
</center><br/>
<p align="center">Daniel F. S. Machado, Rodrigo A. L. Silva, Ana Paula de Oliveira,
Valter H. Carvalho-Silvam Ricardo Garganom Luciano Ribeiro, Heibbe C. B. de Oliveira</p><br/>
<p align="justify">In this paper, we propose a new alternative
analytical function aiming to better describe the potential
energy curves of the doubly charged diatomic molecules. To achieve
this goal, we modified an existing potential function in
the literature to describe dicationic diatomic molecules
using the deformed exponential function.
We generated the potential energy curve of the testing
group of dicationic diatomic molecules Be2+2Be22+ , BH2+,
He2+2He22+ and NH2+ by means of the CCSD(T)/aug-cc-pVQZ level
of theory. To validate this new function, we also calculated the
spectroscopic constants and the rovibrational spectra for the electronic
state X1Σ+gX1Σg+ of the Be2+2Be22+ and He2+2He22+
systems using the Dunham and discrete variable representation methods.
For BH2+ and NH2+ molecules, despite exhibiting a local minimum in the
potential energy curve, no vibrational levels are supported, so
the spectroscopic constants for these poorly bound systems are
invalidated. The fitting accuracy had a better performance over the original
potential for describing dicationic diatomic systems, considering that the
discrete variable representation method resulted in a similar vibrational
structure described in the literature. This fact can be explained due to the
deformed function’s flexibility.</p>
<p class="blog-entry-tags">Tags: <a href="index_files/tag-daniel-machado.html" title="Daniel Machado" rel="tag">Daniel Machado</a>,
<a href="index_files/tag-heibbe-oliveira.html" title="Heibbe Oliveira" rel="tag">Heibbe Oliveira</a></p>
</div>
</div>
</hgroup>
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<a href="index_files/category-defenses.html" class="blog-category-link-enabled">Defenses (3)</a><br />
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<ul class="blog-tag-cloud">
<li><a href="index_files/tag-daniel-machado.html" title="Daniel Machado" class="blog-tag-size-10" rel="tag">Daniel Machado</a></li>
<li><a href="index_files/tag-fernanda-santos.html" title="Fernanda Santos" class="blog-tag-size-9" rel="tag">Fernanda Santos</a></li>
<li><a href="index_files/tag-heibbe-oliveira.html" title="Heibbe Oliveira" class="blog-tag-size-11" rel="tag">Heibbe Oliveira</a></li>
<li><a href="index_files/tag-thiago-lopes.html" title="Thiago Lopes" class="blog-tag-size-8" rel="tag">Thiago Lopes</a></li>
<li><a href="index_files/tag-ueslei-vasconcelos.html" title="Ueslei Vasconcelos" class="blog-tag-size-7" rel="tag">Ueslei Vasconcelos</a></li>
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