<?xml version="1.0" encoding="UTF-8" standalone="yes"?><oembed><version><![CDATA[1.0]]></version><provider_name><![CDATA[Química-Física Molecular]]></provider_name><provider_url><![CDATA[https://qfmweb.wordpress.com]]></provider_url><author_name><![CDATA[qfmweb]]></author_name><author_url><![CDATA[https://qfmweb.wordpress.com/author/qfmweb/]]></author_url><title><![CDATA[Luís Batista de&nbsp;Carvalho]]></title><type><![CDATA[link]]></type><html><![CDATA[<p><img data-attachment-id="18" data-permalink="https://qfmweb.wordpress.com/?attachment_id=18" data-orig-file="https://qfmweb.files.wordpress.com/2017/07/la.jpg" data-orig-size="140,165" data-comments-opened="1" data-image-meta="{&quot;aperture&quot;:&quot;0&quot;,&quot;credit&quot;:&quot;&quot;,&quot;camera&quot;:&quot;&quot;,&quot;caption&quot;:&quot;&quot;,&quot;created_timestamp&quot;:&quot;0&quot;,&quot;copyright&quot;:&quot;&quot;,&quot;focal_length&quot;:&quot;0&quot;,&quot;iso&quot;:&quot;0&quot;,&quot;shutter_speed&quot;:&quot;0&quot;,&quot;title&quot;:&quot;&quot;,&quot;orientation&quot;:&quot;0&quot;}" data-image-title="Luís Batista de Carvalho" data-image-description="" data-medium-file="https://qfmweb.files.wordpress.com/2017/07/la.jpg?w=140" data-large-file="https://qfmweb.files.wordpress.com/2017/07/la.jpg?w=140" class=" size-full wp-image-18 alignleft" src="https://qfmweb.files.wordpress.com/2017/07/la.jpg?w=140&#038;h=165" alt="Luís Batista de Carvalho" width="140" height="165" /></p>
<p style="text-align:justify;"><strong>Luís Alberto</strong>, doutorado em Química pela Universidade de Lisboa, é o atual coordenador da Unidade de I&amp;D Química-Física Molecular. A par desempenha funções de professor auxiliar da Faculdade de Ciências e Tecnologia da Universidade de Coimbra.</p>
<p>&nbsp;</p>
<p style="text-align:justify;"><b>Endereço</b><br />
Departamento de Química<br />
Faculdade de Ciências e Tecnologia<br />
Universidade de Coimbra<br />
3004-535 Coimbra</p>
<p><b>E-mail</b><br />
<a href="mailto:labc@ci.uc.pt">labc@ci.uc.pt</a></p>
<p><b>Telefone</b><br />
+351 239 854 462</p>
<p><b>Publicações</b>:<br />
<a href="http://www.ci.uc.pt/qfm/artigosi2014_2.html">An Inelastic Neutron Scattering Study of Dietary Phenolic Acids </a><br />
M.P.M. Marques, L.A.E. Batista de Carvalho, R. Valero, N.F.L. Machado, S.F. Parker<br />
Physical Chemistry Chemical Physics <b>2014(16)</b>, 7491-7500 (2014)<br />
<b><br />
</b><a href="http://www.ci.uc.pt/qfm/artigosi2013_1.html">Applying Vibrational Spectroscopy to the Study of Nucleobases – Adenine as a Case-Study</a><br />
R.P. Lopes, R. Valero, J. Tomkinson, M.P.M. Marques, L.A.E. Batista de Carvalho<br />
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy <b>109</b>, 2691-2699 (2013)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2013_9.html">New Sustained Release Zidovudine Matrix Tablets – Cytotoxicity Towards Caco-2 Cells </a><br />
J.V. Santos, M.E.T. Pina, M.P.M. Marques, L.A.E. Batista de Carvalho<br />
Drug Development and Industrial Pharmacy <b>39(8)</b>, 1154-1166 (2013)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2013_8.html">A Conformational Study of Hydroxyflavones by Vibrational Spectroscopy Coupled to DFT Calculations </a><br />
N.F.L. Machado, L.A.E. Batista de Carvalho, J.C. Otero, M.P.M. Marques<br />
The Journal of Physical Chemistry B <b>117(21)</b>, 6421–6429 (2013)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2013_7.html">Polymorphism in Cisplatin Anticancer Drug </a><br />
M.P.M. Marques, R.Valero, S.F. Parker, J. Tomkinson, L.A.E. Batista de Carvalho<br />
The Journal of Physical Chemistry B <b>117(21)</b>, 6421–6429 (2013)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2013_4.html">The Role of Polyamines in the Design of Anticancer Drugs </a><br />
S.M. Fiuza, A.M. Amado, M.P.M. Marques, L.A.E. Batista de Carvalho<br />
FEBS Journal <b>280(S1)</b>, 312 (2013)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2013_2.html">A Conformational Study of Hydroxylated Isoflavones by Vibrational Spectroscopy Coupled to DFT Calculations </a><br />
N.F.L. Machado, L.A.E. Batista de Carvalho, J.C. Otero, M.P.M. Marques<br />
Vibrational Spectroscopy <b>68</b>, 257–265 (2013)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2012_14.html">On the Effects of Changing Gaussian Program Version and SCRF Defining Parameters: Isopropylamine as a Case Study</a><br />
A.M. Amado, S.M. Fiuza, L.A.E. Batista de Carvalho, P.J.A. Ribeiro-Claro<br />
Bulletin of the Chemical Society of Japan <b>85(9)</b>, 962-975 (2012)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2012_13.html">Functional and Structural Interactions of Nb, V, Mo and W Oxometalates with the Sarcoplasmic Reticulum Ca<sup>2+</sup>-ATPase Reveal New Insights Into Inhibition Processes: a Combination of NMR, Raman, AA and EPR Spectroscopies with Kinetic Studies</a><br />
G. Fraqueza, L. Carvalho, M.P.M. Marques, C.A. Ohlin, W.H. Casey, M. Aureliano<br />
FEBS Journal <b>279(S1)</b>, 439 (2012)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2012_9.html">Guanine: A Combined Study Using Vibrational Spectroscopy and Theoretical Methods</a><br />
R.P. Lopes, M.P.M. Marques, R. Valero, J. Tomkinson, L.A.E. Batista de Carvalho<br />
Spectroscopy: An International Journal <b>27(5-6)</b>,403-413 (2012)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2012_7.html">Conformational Behaviour of Antioxidant Chromones – A Vibrational Spectroscopy Study</a><br />
N.F.L. Machado, R. Valero, H. Domingos, J. Tomkinson, L.A.E. Batista de Carvalho, J.C. Otero, M.P.M. Marques<br />
Vibrational Spectroscopy <b>63</b>, 325-337 (2012)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2012_8.html">The Autooxidation Process in Linoleic Acid Screened by Raman Spectroscopy</a><br />
N.F.L. Machado, L.A.E. Batista de Carvalho, J.C. Otero, M.P.M. Marques<br />
Journal of Raman Spectroscopys <b>43(12)</b>, 1991–2000 (2012)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2012_6.html">Decavanadate, Decaniobate, Tungstate and Molybdate Interactions with Sarcoplasmic Reticulum Ca<sup>2+</sup>-ATPase: Quercetin Prevents Cysteine Oxidation by Vanadate but does not Reverse ATPase Inhibition</a><br />
G. Fraqueza, L.A.E. Batista de Carvalho, M.P.M. Marques, L. Maia, C.A. Ohlin, W.H. Casey, M. Aureliano<br />
Dalton Transactions <b>41</b>, 12749-12758 (2012)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2012_2.html">Pt(II) Complexes with Linear Diamines — Part I: Vibrational Study of Pt-Diaminopropane </a><br />
A.L.M. Batista de Carvalho, S.M. Fiuza, J. Tomkinson, L.A.E. Batista de Carvalho, M.P.M. Marques<br />
Spectroscopy: An International Journal <b>27(5-6)</b>, 403-413 (2012)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2011_12.html">Validation of the mPW1PW Quantum Chemical Calculations for the Vibrational Study of Organic Molecules – Re-assignment of the Isopropylamine Vibrational Spectra</a><br />
S. Padrão, S.M. Fiuza, A.M. Amado, A.M. Amorim da Costa, L.A.E. Batista de Carvalho<br />
Journal of Physical Organic Chemistry <b>24(2)</b>, 110–121 (2011)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2011_11.html">Development and Validation of a RP-HPLC Method for Determination of Zidovudine and its Related Substances in Sustained Release Tablets</a><br />
J.V. Santos, L.A.E. Batista de Carvalho, M.E. Pina<br />
Analytical Sciences <b>27(3)</b>, 283-289 (2011)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2011_6.html">Inelastic Neutron Scattering Study of PtII Complexes Displaying Anticancer Properties</a><br />
L.A.E. Batista de Carvalho, M.P.M. Marques, C. Martin, S.F. Parker, J. Tomkinson<br />
ChemPhysChem <b>12(7)</b>, 1334–1341 (2011)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2011_4.html">Biologic Activity of a Dinuclear Pd(II)–Spermine Complex Toward Human Breast Cancer</a><br />
S.M. Fiuza, J. Holy, L.A.E. Batista de Carvalho, M.P.M. Marques<br />
Chemical Biology &amp; Drug Design <b>77(6)</b>, 477–488 (2011)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2010_12.html">The Influence of the Compression Force on Zidovudine Release from Matrix Tablets</a><br />
J.V. Santos, L.A.E. Batista de Carvalho, M.E. Pina<br />
AAPS PharmSciTech <b>11(3)</b>, 1442-1448 (2010)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2010_11.html">The Influence of the Compression Force on Zidovudine Release from Matrix Tablets</a><br />
J.V. Santos, L.A.E. Batista de Carvalho, M.E. Pina<br />
AAPS PharmSciTech <b>11(3)</b>, 1442-1448 (2010)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2010_10.html">Conformational and vibrational study of cis-diamminedichloropalladium(II)</a><br />
S.M. Fiuza, A.M. Amado, H.F. dos Santos, M.P.M. Marques, L.A.E. Batista de Carvalho<br />
Physical Chemistry Chemical Physics <b>12</b>, 14309-14321 (2010)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2010_4.html">Characterization of Pt-,Pd-Spermine Complexes for their Effect on Polyamine Pathway and Cisplatin Resistance in A2780 Ovarian Carcinoma Cells</a><br />
R. Tummala, P. Diegelman, S.M. Fiuza, L.A.E. Batista de Carvalho, M.P.M. Marques, D.L. Kramer, K. Clark, S. Vujcic, C.W. Porter, L. Pendyala<br />
Oncology Reports <b>24(1)</b>, 5-24 (2010)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2009_8.html">Biogenic Polyamines: The Structural Variable</a><br />
M.P.M. Marques, A.M.A. Amorim da Costa, J. Tomkinson, R. Calheiros, L.A.E. Batista de Carvalho<br />
Amino Acids <b>37(Suppl 1)</b>, 1956–1965 (2009)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2008_2.html">Conformational Stability of Ibuprofen: Assessed by DFT Calculations and Optical Vibrational Spectroscopy</a><br />
M.L. Vueba, M.E. Pina, L.A.E. Batista de Carvalho<br />
Journal of Pharmaceutical Sciences <b>97</b>, 845-859 (2008)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2008_13.html">Use of Effective Core Potential Calculations for the Conformational and Vibrational Study of Platinum(II) Anticancer Drugs. cis-Diamminedichloroplatinum(II) as a Case Study</a><br />
S. Fiuza, A.M. Amado, M.P.M. Marques and L.A.E. Batista de Carvalho<br />
The Journal of Physical Chemistry A <b>112(14)</b>, 3253–3259 (2008)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2008_14.html">The Role of Zidovudine on Erradication of Vertical Transmission of AIDS</a><br />
J.V. Santos, L.A.E. Batista de Carvalho, and M.E. Pina<br />
Latin American Journal of Pharmacy <b>27(2)</b>, 303-313 (2008)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2007_16.html">Conformational and Vibrational Study of Platinum(II) Anticancer Drugs: cis-Diamminedichloroplatinum (II) as a Case Study</a><br />
A.M. Amado, S.M Fiuza, M.P.M. Marques, L.A.E. Batista de Carvalho<br />
The Journal of Chemical Physics <b>127</b>, 185104(1-10) (2007)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2007_1.html">Effect of the Metal Center on the Antitumor Activity of the Analogous Dinuclear Spermine Chelates (PdCl<sub>2</sub>)(<sub>2</sub>)(Spermine) and (PtCl<sub>2</sub>)(<sub>2</sub>)(Spermine)</a><br />
A.S. Soares, S. Fiuza, M.J. Goncalves, L.A.E. Batista de Carvalho, M.P.M. Marques , A.M. Urbano<br />
Letters in Drug Design &amp; Discovery <b>4</b>, 460-463 (2007)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2007_11.html">Vibrational Spectroscopy Studies on Linear Polyamines</a><br />
M.P.M. Marques, L.A.E. Batista de Carvalho<br />
Biochemical Society Transactions <b>35</b>, 374-380 (2007)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2006_13.html">Transverse Acoustic Modes of Biogenic and α,ω-polyamines: A Study by Inelastic Neutron Scattering and Raman Spectroscopies Coupled to DFT Calculations</a><br />
L.A.E. Batista de Carvalho, M.P.M. Marques, J. Tomkinson<br />
Journal of Physical Chemistry A <b>110</b>, 12947-12954 (2006)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2006_24.html">Influence of Cellulose Ether Mixtures on Ibuprofen Release: MC25, HPC and HPMC K100M</a><br />
M.L. Vueba, L.A.E. Batista de Carvalho, F. Veiga, J.J. Sousa,  M.E. Pina<br />
Pharmaceutical Development and Technology  <b>11</b>, 213-228 (2006)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2006_12.html">Drug-Excipient Interactions in Ketoprofen: A Vibrational Spectroscopy Study</a><br />
L.A.E. Batista de Carvalho, M.P.M. Marques, J. Tomkinson<br />
Biopolymers <b>82</b>, 420-424 (2006)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2006_7.html">Pt(II) vs Pd(II) Polyamine Complexes as New Anticancer Drugs: A Structure-Activity Study </a><br />
S.M. Fiuza, A.M. Amado, L.A.E. Batista de Carvalho, P.J. Oliveira, V.A. Sardão, M.P.M Marques<br />
Letters in Drug Design &amp; Discovery <b>3</b>, 149-151 (2006)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2006_25.html">Conformational Study of Ketoprofen by Combined DFT Calculations and Raman Spectroscopy</a><br />
M.L. Vueba, M.E. Pina, F. Veiga, J.J. Sousa, L.A.E. Batista de Carvalho<br />
International Journal of Pharmacology <b>307</b>, 56-65 (2006)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2005_13.html">Role of Cellulose Ether Polymers on Ibuprofen Release From Matrix Tablets</a><br />
M.L. Vueba, L.A.E. Batista de Carvalho, F. Veiga, J.J. Sousa, E M.E. Pina<br />
Drug Development and Industrial Pharmacy <b>31</b>, 653-665 (2005)</p>
<p><a href="http://www.ci.uc.pt/qfm/actas2005_1.html">Theoretical Studies on Solid <span style="font-family:Symbol;">a,w</span>-Diamine Salts</a><br />
A.M. Amado, S. Fiúza, J.C. Otero, M.P.M. Marques, L.A.E. Batista de Carvalho<br />
Lecture Series on Computer and Computational Sciences <b>4</b>, 21-24 (2005)</p>
<p><a href="http://www.ci.uc.pt/qfm/actas2005_2.html">Performance of Different DFT/ECP Combinations in the Study of Platinum Anticancer Drugs</a><br />
S. Fiúza, A.M. Amado, J.C. Otero, M.P.M. Marques, L.A.E. Batista de Carvalho<br />
Lecture Series on Computer and Computational Sciences <b>4</b>, 191-194 (2005)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2004_1.html">Influence of Cellulose Ether Polymers on Ketoprofen Release from Hydrophilic Matrix Tablets</a><br />
M.L. Vueba, L.A.E. Batista de Carvalho, F. Veiga, J.J. Sousa, M.E. Pina<br />
European Journal of Pharmaceutics and Biopharmaceutics<b> 58</b>, 73-81 (2004)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2004_2.html">Intra- versus Interchain Interactions in α,ω-Polyamines: A Raman Spectroscopy Study </a><br />
A.M. Amorim da Costa, M.P.M. Marques, L.A.E. Batista de carvalho<br />
Vibrational Spectroscopy <b>35</b>, 165-171 (2004)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2003_4.html">Raman Spectra of Putrescine, Spermidine and Spermine Polyamines and their N-Deuterated and N-Ionised Derivatives </a><br />
A.M. Amorim da Costa, M.P.M. Marques, L.A.E. Batista de Carvalho<br />
Journal of Raman Spectroscopy <b>34</b>, 357-366 (2003)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2003_1.html">Conformational Study of Pt(II) Complexes with Polyamines as Possible New Anticancer Agents </a><br />
M.P.M. Marques, L.A.E. Batista de Carvalho, J. Tomkinson<br />
The Rutherford Appleton Laboratory, ISIS Facility Annual Report (2002-2003)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2002_4.html">Study of Carvedilol by Combined Raman Spectroscopy and Ab Initio MO Calculations </a><br />
M.P.M. Marques, P.J. Oliveira, A.J.M. Moreno, L.A.E. Batista de Carvalho<br />
Journal of Raman Spectroscopy <b>33</b> (10), 778-783 (2002)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2002_5.html">The Carbon-Hydrogen Stretching Region of the Raman Spectra of 1,6-Hexane-diamine: N-Deuteration, Ionization and Temperature Effects </a><br />
A.M. Amorim da Costa, M.P.M. Marques, L.A.E. Batista de Carvalho<br />
Vibrational Spectroscopy <b>29</b>, 61-67 (2002)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2002_8.html">Study of Biogenic and α,ω-Polyamines by Combined Inelastic Neutron Scattering and Raman Spectroscopies, and Ab Initio MO Calculations </a><br />
M.P.M. Marques, L.A.E. Batista de Carvalho, J. Tomkinson<br />
The Journal of Physical Chemistry A <b>106</b>, 2473-2482 (2002)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2002_10.html">Conformational Studies on Biogenic Polyamines </a><br />
M.P.M. Marques, L.A.E. Batista de Carvalho, J. Tomkinson<br />
The Rutherford Appleton Laboratory, ISIS Facility Annual Report (2001-2002)</p>
<p><a href="http://www.ci.uc.pt/qfm/actas2002_2.html">Raman Spectra of Putrescine, Spermidine and Spermine Polyamines and Their N-Deuterated and N-Ionised Derivatives </a><br />
A.M. Amorim da Costa, M.P.M. Marques, L.A.E. Batista de Carvalho<br />
J. Mink, G. Jalsovszky e G. Keresztury (Eds.). XVIII International Conference on Raman Spectroscopy. John Wiley &amp; Sons Ltd, Chichester, 735 (2002)</p>
<p><a href="http://www.ci.uc.pt/qfm/actas2002_3.html">Conformational Analysis of the Protonated Amines [H<sub>3</sub>N(CH<sub>2</sub>)<sub>n</sub>NH<sub>3</sub>]<sup>2+</sup> (n=7 to 10, n=12), Spermidine and Spermine </a><br />
L.A.E. Batista de Carvalho, M.P.M. Marques, J. Tomkinson<br />
J. Mink, G. Jalsovszky e G. Keresztury (Eds.). XVIII International Conference on Raman Spectroscopy. John Wiley &amp; Sons Ltd, Chichester, 597 (2002)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2000_6.html">Effects of Carvedilol on Isolated Heart Mitochondria: Evidences for a Protonophoretic Mechanism </a><br />
P.J. Oliveira, M.P.M. Marques, L.A.E. Batista de Carvalho, A.J.M. Moreno<br />
Biochemical and Biophysical Research Communications <b>276</b>, 82-87 (2000)</p>
<p><a href="http://www.ci.uc.pt/qfm/capitulos2000_2.html">Theoretical Approach to the Conformational Preferences of Putrescine </a><br />
M.P.M. Marques, L.A.E. Batista de Carvalho<br />
D.M.L. Morgan, A. White, F. Sánchez-Jiménez and S. Bardocz (Eds.). <i>COST 917: Biogenically Active Amines in Food</i>. European Commission, Luxembourg, vol. IV, 122-129 (2000)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi2000_9.html">Conformational Studies on Biogenic Polyamines</a><br />
M.P.M. Marques, L.A.E. Batista de Carvalho, J. Tomkinson<br />
The Rutherford Appleton Laboratory, ISIS Facility Annual Report (1999-2000)</p>
<p><a href="http://www.ci.uc.pt/qfm/actas2000_2.html">Conformational Analysis of the Protonated Diamines [H<sub>3</sub>N(CH<sub>2</sub>)<sub>n</sub>NH<sub>3</sub>]<sup>2+</sup> (n=2 to 6) </a><br />
L.A.E. Batista de Carvalho, M.P.M. Marques<br />
S.-L. Zhang e B.-F. Zhu (Eds.). XVII International Conference on Raman Spectroscopy. John Wiley &amp; Sons Ltd, Chichester, 822 (2000)</p>
<p><a href="http://www.ci.uc.pt/qfm/actas2000_3.html">Structural Studies on Biogenic Polyamines by Combined Raman and INS Spectroscopies and Ab Initio Methods </a><br />
M.P.M. Marques, L.A.E. Batista de Carvalho, J. Tomkinson<br />
S.-L. Zhang e B.-F. Zhu (Eds.). XVII International Conference on Raman Spectroscopy, John Wiley &amp; Sons Ltd, Chichester, 818 (2000)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi1999_1.html">Oxygen-by-Sulphur Substitutions in Glycine: Conformational and Vibrational Effects</a><br />
L.A.E. Batista de Carvalho, M.P.M. Marques, J.J.C. Teixeira-Dias<br />
Journal of the Chemical Society-Perkin Transactions <b>2</b>, 2507-2514 (1999)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi1999_2.html">Conformational Study of 1,2-Diaminoethane by Combined Ab Initio MO Calculations and Raman Spectroscopy </a>L.A.E. Batista de Carvalho, L.E. Lourenço, M.P.M. Marques<br />
Journal of Molecular Structure <b>482</b>, 639-646 (1999)</p>
<p><i>Structural Study of Putrescine by Combined Raman Spectroscopy and ab initio methods</i><br />
M.P.M. Marques and L.A.E. Batista de Carvalho<br />
J. Greve, G.J. Puppels e C. Otto (Eds.). Spectroscopy of Biological Molecules: New Directions. Kluwer Academic Publishers, Dordrecht, 431-432 (1999)</p>
<p><i>Conformational Analysis and Vibrational Frequencies of Alanine and Its Sulphur Tautomers</i><br />
L.A.E. Batista de Carvalho, M.P.M. Marques and J.J.C. Teixeira-Dias<br />
J. Greve, G.J. Puppels e C. Otto (Eds.). Spectroscopy of Biological Molecules: New Directions. Kluwer Academic Publishers, Dordrecht, 77 (1999)</p>
<p><a href="http://www.ci.uc.pt/qfm/actas1998_2.html">Conformational Analysis of Biologically Relevant Diamines by Raman Spectroscopy and Ab Initio MO Calculations </a><br />
L.A.E. Batista de Carvalho, M.P.M. Marques<br />
A.M. Heyns (Ed.). XVI International Conference on Raman Spectroscopy. John Wiley &amp; Sons Ltd, Chichester, 232 (1998)</p>
<p><i>Conformational Analysis of Piperazine by Vibrational Spectroscopy and Ab Initio Calculations</i><br />
M.P.M. Marques and L.A.E. Batista de Carvalho,<br />
P.Carmona, R. Navarro e A. Hernanz (Eds.). Spectroscopy of Biological Molecules: Modern Trends. Kluwer Academic Publishers, Dordrecht, 549 (1997)</p>
<p><a href="http://www.ci.uc.pt/qfm/artigosi1997_1.html">Evidence of Dimerization Through CH<sup>&#8230;</sup>O Hydrogen Bonds in Liquid 4-Methoxy-Benzaldehyde from Raman Spectra and ab initio Calculations </a><br />
P.J.A. Ribeiro-Claro, L.A.E. Batista de Carvalho, A.M. Amado<br />
Journal of Raman Spectroscopy <b>28</b>, 867-872 (1997)</p>
<p><i>Conformational Analysis of Glycine and Its Sulphur Tautomer by Ab Initio MO Methods</i><br />
L.A.E. Batista de Carvalho, M.P.M. Marques and J.J.C. Teixeira-Dias<br />
P.Carmona, R. Navarro e A. Hernanz (Eds.). Spectroscopy of Biological Molecules: Modern Trends. Kluwer Academic Publishers, Dordrecht, 547 (1997)</p>
<p><i>Raman spectra, conformational stability and normal coordinate analysis of ethylmethylamine</i><br />
L.A.E. Batista de Carvalho and J.J.C. Teixeira-Dias<br />
Journal of Raman Spectroscopy <b>26</b>, 653-661 (1995)</p>
<p><a href="http://www.ci.uc.pt/qfm/actas1994_2.html">Structural Study of Some Even Chain Length Lead(II) α,ω-Dicarboxylates </a><br />
L.A.E. Batista de Carvalho, H.D. Burrows, A.M. Amorim da Costa, J.J.C. Teixeira-Dias<br />
N.T. Yu e X.Y. Li (Eds). XIV International Conference on Raman Spectroscopy. John Wiley &amp; Sons Ltd, Chichester, 704-705 (1994)</p>
<p><i>Conformational Analysis of Dimethylethylamine: an Ab initio MO Study and comparision with ethylamine and ethylmethylamine</i><br />
L.A.E. Batista de Carvalho and J.J.C. Teixeira-Dias<br />
Journal of Molecular Structure (THEOCHEM) <b>282</b>, 211-221 (1993)</p>
<p><i>Ab initio MO Conformational Study of Ethylmethylamine</i><br />
L.A.E. Batista de Carvalho and J.J.C. Teixeira-Dias<br />
Journal of Molecular Structure (THEOCHEM) <b>282</b>, 199-209 (1993)</p>
<p><i>Conformational Studies in Organic Liquids</i><br />
J.J.C. Teixeira-Dias, L.A.E. Batista de Carvalho and P.J.A. Ribeiro-Claro<br />
J.J.C. Teixeira-Dias (Ed.). <i>&#8220;Molecular Liquids: New Perspectives in Physics and Chemistry</i>&#8220;, NATO ASI Series, Kluwer Academic Publications, Dordrecht, vol. C379, 147 (1992)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxbUN3NU1JemNMM1k/view?usp=sharing" target="_blank" rel="noopener">Conformational Analysis of Carbonyl and Thiocarbonyl Esters: the HC(<em>=X</em>)<em>Y—CH(CH<sub>3</sub>)<sub>2</sub></em> (<em>X</em>,<em>Y</em> = O or S) Internal Rotation </a><br />
J.J.C. Teixeira-Dias, R. Fausto and L.A.E. Batista de Carvalho<br />
Journal of Molecular Structure (THEOCHEM) <b>262</b>, 87-103 (1992)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxU2dIaUpyalNRcDQ/view?usp=sharing" target="_blank" rel="noopener">Conformational Analysis of Carbonyl and Thiocarbonyl Ethyl Esters: the HC(<em>=X</em>)<em>Y—CH<sub>2</sub>CH<sub>3</sub></em> (<em>X</em>,<em>Y</em> = O or S) Internal Rotation </a><br />
R. Fausto, L.A.E. Batista de Carvalho and J.J.C. Teixeira-Dias<br />
Journal of Computational Chemistry <b>13</b>, 799-809 (1992)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxTnJMT3NOS3FSbVE/view?usp=sharing" target="_blank" rel="noopener">The C<em><sub>α</sub></em>—C Internal Rotation in <em>α</em>-Alkyl Substituted Carbonyls and Thiocarbonyls: CH(CH<sub>3</sub>)<sub>2</sub>—(C=X)YH (X,Y = O or S) </a><br />
J.J.C. Teixeira-Dias, R. Fausto and L.A.E. Batista de Carvalho<br />
Journal of Computational Chemistry <b>12</b>, 1047-1057 (1991)</p>
<p><strong>Conformational Study of Myosin by Raman Spectroscopy and Molecular Mechanics Calculations </strong><br />
P.J.A. Ribeiro-Claro, J.J.C. Teixeira-Dias, E.M.V. Pires, L.A.E. Batista de Carvalho, M. Aureliano, A.M. Amado<br />
Spectroscopy Biological Molecules, Special Publications – Royal Society of Chemistry 31-32 (1991)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxQXJGRzQ0WXVNQzg/view?usp=sharing" target="_blank" rel="noopener">A Vibrational Raman Spectrocopic Study of Myosin and Myosin-Vanadate Interactions</a><br />
J.J.C. Teixeira-Dias, E.M.V. Pires, P.J.A. Ribeiro-Claro, L.A.E. Batista de Carvalho, M. Aureliano, A.M. Amado<br />
&#8220;Cellular Regulation by Protein Phosphorylation&#8221;, Livro de Comunicações, NATO ASI Séries, Springer-Verlag, Heidelberg, 29-33 (1991)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxR1BkaWF4TzdjRVE/view?usp=sharing">A Molecular Mechanics Force Field for Conformational Analysis of Aliphatic Acyclic Amines</a><br />
L.A.E. Batista de Carvalho, J.J.C. Teixeira-Dias, R. Fausto<br />
Structural Chemistry <b>1</b>, 533-542 (1990)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxODlqcUVtWUxFUlE/view?usp=sharing" target="_blank" rel="noopener">The CH3CH2— Internal Rotation in Thiopropionic Acid as Studied by Ab Initio SCF-MO Method </a><br />
L.A.E. Batista de Carvalho, J.J.C. Teixeira-Dias, R. Fausto<br />
Journal of Molecular Structure (THEOCHEM)<i> </i><b>208</b>, 109-121 (1990)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxVzlYX0JVTkdWSW8/view?usp=sharing" target="_blank" rel="noopener">Molecular Structure and Properties of Thioacetic Acid</a><br />
R. Fausto, L.A.E. Batista de Carvalho, J.J.C. Teixeira-Dias<br />
Journal of Molecular Structure (THEOCHEM)<i> </i><b>207</b>, 67-83 (1990)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxMnhGUkRNSm1PaDg/view?usp=sharing" target="_blank" rel="noopener">Temperature and Solvent-Dependent Raman Bands of n-Propylamine N-d2: A Conformational Study</a><br />
L.A.E. Batista de Carvalho, A.M. Amorim da Costa, J.J.C.Teixeira-Dias<br />
Journal of Molecular Structure <b>218</b>, 105-110 (1990)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxZkFCYkhlYUpPSnM/view?usp=sharing" target="_blank" rel="noopener">A Comparative ab initio Study of Internal Rotations in Ethylamine and n-Propylamine </a><br />
L.A.E. Batista de Carvalho, A.M. Amorim da Costa, J.J.C. Teixeira-Dias<br />
Journal of Molecular Structure (THEOCHEM) <b>205</b>, 327-351 (1990)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxZWtDcG5QNENlVDg/view?usp=sharing" target="_blank" rel="noopener">s-<i>cis</i> and s-<i>trans</i> conformers of Formic, Thioformic and Dithioformic Acids: An <em>Ab Initio</em> Study</a><br />
R. Fausto, L.A.E. Batista de Carvalho, J.J.C. Teixeira-Dias, M.N. Ramos<br />
Journal of the Chemical Society-Perkin-Faraday Transactions II <b>85</b>, 1945-1962 (1989)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxRjJsUEg4eUtSdDg/view?usp=sharing" target="_blank" rel="noopener">Conformational Studies of n-propylamine by Combined ab initio MO calculations and Raman Spectroscopy</a><br />
L.A.E. Batista de Carvalho, A.M. Amorim da Costa, M.L. Duarte, J.J.C. Teixeira Dias<br />
Spectrochimica Acta <b>44A</b>, 723-732 (1988)</p>
<p><strong>Temperature-Dependent Intensities of Raman Bands of n-Propylamine-N-d<sub>2</sub> </strong><br />
L.A.E. Batista de Carvalho, A.M. Amorim da Costa, M.L. Duarte, J.J.C. Teixeira-Dias<br />
R.J.H. Clark e D.A. Long (Eds.). XI International Conference on Raman Spectroscopy. John Wiley &amp; Sons Ltd, Chichester, 897-898 (1988)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxdWlRU043VGtGdnc/view?usp=sharing" target="_blank" rel="noopener">The Temperature dependence of the Raman Spectrum and Gauche Interactions of tri-n-Butylamine: A Conformational Study </a><br />
A.M. Amorim da Costa, L.A.E. Batista de Carvalho, J.J.C. Teixeira-Dias, E.F.G. Barbosa, I.M.S. Lampreia<br />
Canadian Journal of Chemistry <b>65</b>, 384-390 (1987)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxNkV5eEpSNDU5dGM/view?usp=sharing" target="_blank" rel="noopener">Temperature-dependent Intensities of Raman Bands of di-n-Butylamine </a><br />
L.A.E. Batista de Carvalho, A.M. Amorim da Costa, J.J.C. Teixeira-Dias, E.F.G. Barbosa, I.M.S. Lampreia<br />
Journal of Raman Spectroscopy <b>18</b>, 115-118 (1987)</p>
<p><a href="https://drive.google.com/file/d/0B_btGj75B4fxckUwMkd5RW94REk/view?usp=sharing" target="_blank" rel="noopener">Conformational Studies by Raman Spectroscopy and Statistical Analysis of Gauche Interactions in n-butylamine </a><br />
J.J.C. Teixeira-Dias, L.A.E. Batista De Carvalho, A.M. Amorim da Costa, I.M.S. Lampreia, E.F.G. Barbosa<br />
Spectrochimica Acta <b>42 A</b>, 589-597 (1986)</p>
<p><b>Projectos</b>:<br />
<a href="http://www.ci.uc.pt/qfm/proj15.html">Novas Abordagens Terapêuticas no Cancro: Desenho Racional e Síntese de Novos Ligandos dos Receptores A3 da Adenosina (PTDC/QUI/70359/2006)<br />
</a><br />
<a href="http://www.ci.uc.pt/qfm/proj16.html">Hibridização Molecular no Desenvolvimento de Novas Drogas Anticancerígenas (CAPES/CPLP-4.1.3.)</a></p>
<p><a href="http://www.ci.uc.pt/qfm/proj7.html">Complexos de Pt(II) com Poliaminas Biogénicas como Novos Agentes Anticancerígenos: Relações Estrutura-Actividade (POCTI/QUI/47256/2002)</a></p>
<p><a href="http://www.ci.uc.pt/qfm/proj6.html">Estudo de Poliaminas Biogénicas e de seus Complexos Metálicos (POCTI/QUI/33199/2000)</a></p>
<p><a href="http://www.ci.uc.pt/qfm/proj5.html">Ligações de Hidrogénio C-H<sup>&#8230;</sup>O em Líquidos (POCTI/35408/QUI/00)</a></p>
<p><a href="http://www.ci.uc.pt/qfm/proj4.html">Análise Conformacional de Poliaminas: Estudo por Espectroscopia Vibracional e Cálculos <i>Ab Initio</i>(PBIC/C/QUI/2219/95)</a></p>
<p><a href="http://www.ci.uc.pt/qfm/proj1.html">Hydrogen Network Dynamics and Conformational Changes in Molecular Solids (HCM-CHRX-CT94-0466)</a></p>
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