Publications | 2010 - 2006
154. DE CARVALHO, H.W.P. ; BATISTA, A.P.L. ; HAMMER, P. ; PEREIRA, GH ; RAMALHO, T. C. . REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION BY CHELATING POLYMERIC HYDROGEL. ENVIRONMENTAL CHEMISTRY LETTERS (PRINT) , V. 8, P. 343-348, 2010. [CrossRef]
​
153. DA CUNHA, ELAINE F. F. ; BARBOSA, E.F. ; OLIVEIRA, A. A. ; RAMALHO, T. C. . MOLECULAR MODELING OF MYCOBACTERIUM TUBERCULOSIS DNA GYRASE AND ITS MOLECULAR DOCKING STUDY WITH GATIFLOXACIN INHIBITORS. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS , V. 27, P. 619-625, 2010. [CrossRef]
152. DE CARVALHO, H.W.P. ; BATISTA, A.P.L. ; RAMALHO, T. C. ; SANTILLI, C.V. ; PULCINELLI, S.H. ; BERTHOLDO, R. . PHTOCATALYST TIO2-CO: THE EFFECT OF DOPING DEPTH PROFILE ON MB DEGRADATION. JOURNAL OF MATERIALS SCIENCE , V. 45, P. 5698-5703, 2010. [CrossRef]
151. PORTA, F. L. ; SANTIAGO, R. T. ; RAMALHO, T. C. ; FREITAS MP . THE ROLE OF THE FRONTIER ORBITALS IN ACID-BASE CHEMISTRY OF ORGANIC AMINES PROBED BY AB INITIO AND CHEMOMETRIC TECHNIQUES. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY , V. 110, P. 2015-2023, 2010. [CrossRef]
​
150. RAMALHO, T. C. ; FRANÇA TCC ; GUIMARAES, A. P. ; RENNO, M. N. ; CUNHA, EFF ; KUCA, K. . DEVELOPMENT OF NEW ACETYLCHOLINESTERASE REACTIVATORS:MOLECULAR MODELING VERSUS IN VITRO DATA. CHEMICO-BIOLOGICAL INTERACTIONS (PRINT) , V. 185, P. 73-77, 2010. [CrossRef]
149. RAMALHO, T. C. ; ROCHA, M. V. ; DA CUNHA, ELAINE F. F. ; OLIVEIRA, L.C.A. ; CARVALHO, K. T. . UNDERSTANDING THE MOLECULAR BEHAVIOR OF ORGANOTIN COMPOUNDS TO DESIGN THEIR EFFECTIVE USE AS AGROCHEMICALS: EXPLORATION VIA QUANTUM CHEMISTRY AND EXPERIMENTS. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS , V. 28, P. 227-238, 2010. [CrossRef]
148. DE CARVALHO, H.W.P. ; BATISTA, A.P.L. ; HAMMER, P. ; RAMALHO, T. C. . PHOTOCATALYTIC ACTIVITY OF TIO2-CU ON METHYLENE BLUE DEGRADATION: THEORETICAL AND EXPERIMENTAL STUDY. JOURNAL OF HAZARDOUS MATERIALS (PRINT) , V. 184, P. 273-280, 2010. [CrossRef]
147. GRILLO, R. ; MELO, NATHALIE F. S. ; ARAUJO, D.R. ; TROSSINI, G.H.G. ; CUNHA, EFF ; RAMALHO, T. C. ; FRACETO, L.F. . HOST GUEST COMPLEXATION OF A NITROHETEROCYCLIC COMPOUND WITH CYCLODEXTRINS: A SPECTROFLUORIMETRIC AND MOLECULAR MODELING STUDY. JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY , V. 66, P. 417-421, 2010. [CrossRef]
146. CARVALHO, B. A. ; RAMALHO, T. C. ; DA CUNHA, ELAINE F. F. . SAMTA - A NEW PROPOSAL FOR MOLECULAR DYNAMICS ANALYSIS. ACTA SCIENTIARUM. TECHNOLOGY (IMPRESSO) , V. 32, P. 355-360, 2010. [CrossRef]
145. DA CUNHA, ELAINE F. F. ; RAMALHO, T. C. ; MANCINI, D.T. ; FONSECA, E.M.B. ; OLIVEIRA, A. A. . NEW APPROACHES TO THE DEVELOPMENT OF ANTI-PROTOZOAN DRUG CANDIDATES: A REVIEW OF PATENTS. JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY (IMPRESSO) , V. 21, P. 1787-1806, 2010. [CrossRef]
144. RAMALHO, T. C. ; FRANÇA TCC ; GUIMARAES, A. P. ; DA CUNHA, ELAINE F. F. ; KUCA, K. . SPECIAL ISSUE 10TH INTERNATIONAL MEETING ON CHOLINESTERASES: SELECTION OF PAPERS PRESENTED.. CHEMICO-BIOLOGICAL INTERACTIONS (PRINT) , V. 187, P. 436-440, 2010. [CrossRef]
143. SANTIAGO, R. T. ; PORTA, F. L. ; RAMALHO, T. C. ; ROCHA, M. V. ; FREITAS MP ; CUNHA, EFF . DESCRIPTION OF THE ACID/BASE BEHAVIOR OF ORGANIC PHOSPHINES USING AB INITIO AND CHEMOMETRIC APPROACHES. LETTERS IN ORGANIC CHEMISTRY , V. 7, P. 552-556, 2010. [CrossRef]
​
142. COELHO, JAKELYNE V. ; FREITAS MP ; RAMALHO, T. C. ; MARTINS, C.R. ; BITENCOURT. M. ; TORMENA, C. ; RITTNER, R . THE CASE OF INFRARED CARBONYL STRETCHING INTENSITIES OF 2-BROMOCYCLOHEXANONE: CONFORMATIONAL AND INTERMOLECULAR INTERACTION INSIGHTS. CHEMICAL PHYSICS LETTERS (PRINT) , V. 494, P. 26-30, 2010. [CrossRef]
​
141. GOODARZI, M. ; FREITAS MP ; CUNHA, EFF ; RAMALHO, T. C. . QSAR AND DOCKING STUDIES OF NOVEL ANTILEISHMANIAL DIARYL SULFIDES AND SULFONAMIDES. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY , V. 45, P. 4879-4889, 2010. [CrossRef]
​
140. ESTEVES, A ; RAMALHO, T. C. ; OLIVEIRA, L.C.A. . PHOTOCATALYTIC DEGRADATION OF ORGANIC COMPOUND IN WATER USING SYNTHETIC NIOBIA: EXPERIMENTAL AND THEORETICAL STUDIES. TOPICS IN CATALYSIS , V. 54, P. 270-276, 2010. [CrossRef]
139. GOODARZI, M. ; CHEN, T. ; FREITAS, M. P. . QSPR PREDICTIONS OF HEAT OF FUSION OF ORGANIC COMPOUNDS USING BAYESIAN REGULARIZED ARTIFICIAL NEURAL NETWORKS. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (PRINT) , V. 104, P. 260-264, 2010. [CrossRef]
138. GOODARZI, M. ; FREITAS, M. P. ; GHASEMI, N. . QSAR STUDIES OF BIOACTIVITIES OF 1-(AZACYCLYL)-3-ARYLSULFONYL-1H-PYRROLO[2,3-B]PYRIDINES AS 5-HT6 RECEPTOR LIGANDS USING PHYSICOCHEMICAL DESCRIPTORS AND MLR AND ANN-MODELING. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY , V. 45, P. 3911-3915, 2010. [CrossRef]
137. GOODARZI, M. ; FREITAS, M. P. . MIA-QSAR, PC-RANKING AND LEAST-SQUARES SUPPORT-VECTOR MACHINES IN THE ACCURATE PREDICTION OF THE ACTIVITIES OF PHOSPHODIESTERASE TYPE 5 (PDE-5) INHIBITORS. MOLECULAR SIMULATION (PRINT) , V. 36, P. 871-877, 2010. [CrossRef]
136. GOODARZI, M. ; FREITAS, M. P. . PLS AND N-PLS-BASED MIA-QSTR MODELING OF THE ACUTE TOXICITIES OF PHENYLSULFONYL CARBOXYLATES TO VIBRIO FISCHERI. MOLECULAR SIMULATION (PRINT) , V. 36, P. 953-959, 2010. [CrossRef]
135. GOODARZI, M. ; FREITAS, M. P. ; GHASEMI, N. . QSAR STUDIES OF BIOACTIVITIES OF 1-(AZACYCLYL)-3-ARYLSULFONYL-1H-PYRROLO[2,3-B]PYRIDINES AS 5-HT6 RECEPTOR LIGANDS USING PHYSICOCHEMICAL DESCRIPTORS AND MLR AND ANN-MODELING. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY , V. 45, P. 3911-3915, 2010. [CrossRef]
134. FREITAS, M. R. ; MACEDO, R. L. G. ; FERREIRA, E. B. ; FREITAS, M. P. . LOOKING FOR ENVIRONMENTAL CONSERVATION: THE CONTRIBUTION OF ENVIRONMENTAL PERCEPTION FOR THE EDUCATION AND ACTUATION OF CHEMISTS. QUÍMICA NOVA (IMPRESSO) , V. 33, P. 988-993, 2010. [CrossRef]
133. GOODARZI, M. ; FREITAS, M. P. ; WU, C. H. ; DUCHOWICZ, P. R. . PKA MODELING AND PREDICTION OF A SERIES OF PH INDICATORS THROUGH GENETIC ALGORITHM-LEAST SQUARE SUPPORT VECTOR REGRESSION. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (PRINT) , V. 101, P. 102-109, 2010. [CrossRef]
132. GOODARZI, M. ; DUCHOWICZ, P. R. ; FREITAS, M. P. ; FERNÁNDEZ, F. M. . PREDICTION OF THE HILDEBRAND PARAMETER OF VARIOUS SOLVENTS USING LINEAR AND NONLINEAR APPROACHES. FLUID PHASE EQUILIBRIA , V. 293, P. 130-136, 2010. [CrossRef]
131. GOODARZI, M. ; FREITAS, M. P. . MIA-QSAR MODELING OF ACTIVITIES OF A SERIES OF AZT ANALOGUES: BI- AND MULTILINEAR PLS REGRESSION. MOLECULAR SIMULATION , V. 36, P. 267-272, 2010. [CrossRef]
130. COELHO, J. V. ; FREITAS, M. P. . ORBITAL INTERACTIONS IN 2-HALOCYCLOHEXANONES AS ANALYZED BY MEANS OF THEORETICAL CALCULATIONS. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM (PRINT) , V. 941, P. 53-55, 2010. [CrossRef]
129. GOODARZI, M. ; FREITAS, M. P. . MIA-QSAR COUPLED TO PRINCIPAL COMPONENT ANALYSIS-ADAPTIVE NEURO-FUZZY INFERENCE SYSTEMS (PCA-ANFIS) FOR THE MODELING OF THE ANTI-HIV REVERSE TRANSCRIPTASE ACTIVITIES OF TIBO DERIVATIVES. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY , V. 45, P. 1352-1358, 2010. [CrossRef]
​
128. CUNHA, EFF ; ALBUQUERQUE, M. G. ; DE ALENCASTRO, RB ; RAMALHO, T. C. ; SIPPL W . 3D-QSAR COMFA/COMSIA MODELS BASED ON THEORETICAL ACTIVE CONFORMERS OF HOE/BAY-793 ANALOGS DERIVED FROM HIV-1 PROTEASE-INHIBITOR COMPLEXES. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY , V. 44, P. 4344-4352, 2009. [CrossRef]
127. RAMALHO, T. C. ; DE CARVALHO, H.W.P. ; BATISTA, A.P.L. ; PEREZ, C. A. ; GOBBI, A.L. . PHOTOCATALYTIC DECOMPOSITION OF METHYLENE BLUE VIA FENTON MECHANISMS BY SILICON WAFER DOPED WITH AU AND CU: A THEORETICAL AND EXPERIMENTAL STUDY. JOURNAL OF MATERIALS SCIENCE , V. 44, P. 1029-1034, 2009. [CrossRef]
​
126. RAMALHO, T ; MARTINS, TLC ; BORGES, LEP ; DE PINHO, M.H. . INFLUENCE OF ZN-CD SUBSTITUTION: SPECTROSCOPIC AND THEORETICAL INVESTIGATION OF 8-HYDROXYQUINOLINE COMPLEXES. SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , V. 72, P. 726-729, 2009. [CrossRef]
​
125. CAETANO, M. S. ; RAMALHO, T. C. ; DA CUNHA, ELAINE F. F. ; JOSA, D. ; DE SOUZA, T. C. S. . ANALYSIS OF WILD-TYPE AND GLY96ALA MUTANT EPSP SYNTHASE STRUCTURES VIA IN SILICO DOCKING WITH INHIBITORS AND MOLECULAR DYNAMICS SIMULATION. CURRENT BIOACTIVE COMPOUNDS, V. 5, P. 110-118, 2009. [CrossRef]
124. SILVA, A.C. ; OLIVEIRA, D. Q. L. ; ANASTACIO, A. S. ; RAMALHO, T. C. ; LOPES, J. H. ; DE CARVALHO, H.W.P. ; TORRES, C. E. R. . NB-CONTAINING HEMATITES FE2-XNBXO3: THE ROLE OF NB5+ ON THE REACTIVITY IN PRESENCE OF THE H2O2 OR ULTRAVIOLET LIGHT.APPLIED CATALYSIS. A, GENERAL , V. 357, P. 79-84, 2009. [CrossRef]
123. RAMALHO, T. C. ; OLIVEIRA, L.C.A. ; CARVALHO, KELE T. G. ; DA CUNHA, ELAINE F. F. ; SOUZA, E. F. . THE MOLECULAR BASIS FOR THE BEHAVIOR OF NIOBIA SPECIES IN OXIDATION REACTION PROBED BY THEORETICAL CALCULATIONS AND EXPERIMENTAL TECHNIQUES. MOLECULAR PHYSICS , V. 107, P. 171-179, 2009. [CrossRef]
122. RAMALHO, T. C. ; CAETANO, M. S. ; DA CUNHA, ELAINE F. F. ; ROCHA, M. V. ; DE SOUZA, T. C. S. . CONSTRUCTION AND ASSESSMENT OF REACTION MODELS OF CLASS I EPSP SYNTHASE: MOLECULAR DOCKING AND DENSITY FUNCTIONAL THEORETICAL CALCULATIONS. JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS , V. 27, P. 195-208, 2009. [CrossRef]
​
121. RAMALHO, T. C. ; ROCHA, M. V. ; CUNHA, EFF ; FREITAS MP . THE SEARCH FOR NEW COX-2 INHIBITORS: A REVIEW OF 2002 2008 PATENTS. EXPERT OPINION ON THERAPEUTIC PATENTS , V. 19, P. 1193-1228, 2009. [CrossRef]
​
120. HENRIQUE, D. ; RAMALHO, T. C. . UNDERSTANDING THE SUBSTITUENT EFFECT ON THE ACIDITY OF ALCOHOLS AND PARA-SUBSTITUTED PHENOLS. MOLECULAR SIMULATION , V. 35, P. 1269-1278, 2009. [CrossRef]
​
119. DE CARVALHO, H.W.P. ; BATISTA, A.P.L. ; RAMALHO, T. C. ; GOBBI, A.L. ; PEREZ, C. A. . THE INTERACTION BETWEEN ATOMS OF AU AND CU WITH CLEAN SI(1 1 1) SURFACE: A STUDY COMBINING SYNCHROTRON RADIATION GRAZING INCIDENCE X-RAY FLUORESCENCE ANALYSIS AND THEORETICAL CALCULATIONS.SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , V. 74, P. 292-296, 2009. [CrossRef]
​
118. GOODARZI, M. ; FREITAS MP ; RAMALHO, T. C. . PREDICTION OF 13C CHEMICAL SHIFTS IN METHOXYFLAVONOL DERIVATIVES USING MIA-QSPR.. SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , V. 74, P. 563-568, 2009. [CrossRef]
​
117. OLIVEIRA, A. A. ; DA CUNHA, ELAINE F. F. ; RAMALHO, T. C. . QSAR STUDY OF ANDROSTENEDIONE ANALOGS AS AROMATASE INHIBITORS. LETTERS IN DRUG DESIGN & DISCOVERY , V. 6, P. 554-562, 2009. [CrossRef]
116. OLIVEIRA, L.C.A. ; ZAERA, F. ; LEE, I. ; OLIVEIRA, D. Q. L. ; RAMALHO, T. C. ; SILVA, A.C. ; FONSECA, E.M.B. . NB-DOPED HEMATITES FOR DECOMPOSITION OF ISOPROPANOL:EVIDENCE OF SURFACE REACTIVITY BY IN SITU CO ADSORPTION. APPLIED CATALYSIS. A, GENERAL , V. 368, P. 17-21, 2009. [CrossRef]
115. TOLEDO, E.J.L. ; RAMALHO, T. C. ; CUSTODIO, R. ; MAGRIOTIS, Z. . ELECTRICAL FIELD EFFECTS ON DIPOLE MOMENT, STRUCTURE AND ENERGETIC OF (H2O)N (2 < N < 15) CLUSTER. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM (PRINT) , V. 915, P. 170-177, 2009. [CrossRef]
114. CORMANICH, R. A. ; FREITAS, M. P. . A THEORETICAL VIEW ON THE CONFORMER STABILIZATION OF BUTANE. JOURNAL OF ORGANIC CHEMISTRY , V. 74, P. 8384-8387, 2009. [CrossRef]
113. GOODARZI, M. ; FREITAS, M. P. . PREDICTION OF ELECTROPHORETIC ENANTIOSEPARATION OF AROMATIC AMINO ACIDS/ESTERS THROUGH MIA-QSPR. SEPARATION AND PURIFICATION TECHNOLOGY , V. 68, P. 363-366, 2009. [CrossRef]
112. GOODARZI, M. ; OLIVIERI, A. C. ; FREITAS, M. P. . PRINCIPAL COMPONENT ANALYSIS - ADAPTIVE NEURO-FUZZY INFERENCE SYSTEMS (ANFIS) FOR THE SIMULTANEOUS SPECTROPHOTOMETRIC DETERMINATION OF THREE METALS IN WATER SAMPLES. SPECTROCHIMICA ACTA. PART A, MOLECULAR SPECTROSCOPY, V. 73, P. 608-614, 2009. [CrossRef]
111. DUARTE, C. J. ; FREITAS, M. P. . HYDROGEN BONDING AND STEREOELECTRONIC EFFECTS IN THE CONFORMATIONAL ISOMERISM OF TRANS-2-BROMOCYCLOHEXANOL. JOURNAL OF MOLECULAR STRUCTURE , V. 930, P. 135-139, 2009. [CrossRef]
110. CARVALHO, A. V. S. ; CARVALHO, R. ; ABREU, C. M. P. ; FURTINI NETO, A. E. ; FREITAS, M. P. . BEAN PLANT PRODUCTION OF DRY MATTER AND GRAIN RELATED TO SOIL CITRIC ACID EXTRACTABLE COPPER, ZINC, CADMIUM, AND LEAD. COMMUNICATIONS IN SOIL SCIENCE AND PLANT ANALYSIS , V. 40, P. 2959-2974, 2009. [CrossRef]
109. GOODARZI, M. ; FREITAS, M. P. ; JENSEN, R. . ANT COLONY OPTIMIZATION AS A FEATURE SELECTION METHOD IN QSAR MODELING OF ANTI-HIV-1 ACTIVITIES OF 3-(3,5-DIMETHYLBENZYL)URACIL DERIVATIVES USING MLR AND SVM REGRESSION. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (PRINT) , V. 98, P. 123-129, 2009. [CrossRef]
108. GOODARZI, M. ; FREITAS, M. P. . PREDICTION OF ELECTROPHORETIC ENANTIOSEPARATION OF AROMATIC AMINO ACIDS/ESTERS THROUGH MIA-QSPR. Separation and Purification Technology, V. 68, P. 363-366, 2009. [CrossRef]
107. GOODARZI, M. ; FREITAS, M. P. . Prediction of Electrophoretic Enantioseparation of Aromatic Amino Acids/Esters Through MIA-QSPR. Separation and Purification Technology , v. 68, p. 363-366, 2009.. [CrossRef]
106. BITENCOURT, M. ; FREITAS, M. P. . BI- AND MULTILINEAR PLS COUPLED TO MIA-QSAR IN THE PREDICTION OF ANTIFUNGAL ACTIVITIES OF SOME BENZOTHIAZOLE DERIVATIVES. MEDICINAL CHEMISTRY (HILVERSUM) , V. 5, P. 79-86, 2009. [CrossRef]
105. COELHO, J. V. ; FREITAS, M. P. ; TORMENA, C. F. ; RITTNER, R. . ON THE 4JHH LONG-RANGE COUPLINGS IN 2-BROMOCYCLOHEXANONE: CONFORMATIONAL INSIGHTS. MAGNETIC RESONANCE IN CHEMISTRY , V. 47, P. 348-351, 2009. [CrossRef]
104. FREITAS, M. P. . MIA-QSTR STUDY OF DIFFERENT ORGANIC COMPOUNDS TO PIMEPHALES PROMELAS. MEDICINAL CHEMISTRY RESEARCH , V. 18, P. 648-655, 2009. [CrossRef]
103. GOODARZI, M. ; FREITAS, M. P. . ON THE USE OF PLS AND N-PLS IN MIA-QSAR: AZOLE ANTIFUNGALS. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS , V. 96, P. 59-62, 2009. [CrossRef]
102. CORMANICH, R. A. ; GOODARZI, M. ; FREITAS, M. P. . IMPROVEMENT OF MIA-QSAR ANALYSIS BY USING WAVELET-PCA RANKING VARIABLE SELECTION AND LS-SVM REGRESSION: QSAR STUDY OF CHECKPOINT KINASE WEE1 INHIBITORS. CHEMICAL BIOLOGY AND DRUG DESIGN , V. 73, P. 244-252, 2009. [CrossRef]
101. GOODARZI, M. ; FREITAS, M. P. ; FERREIRA, E. B. . INFLUENCE OF CHANGES IN 2D CHEMICAL STRUCTURE DRAWINGS AND IMAGE FORMATS ON THE PREDICTION OF BIOLOGICAL PROPERTIES USING MIA-QSAR. QSAR & COMBINATORIAL SCIENCE , V. 28, P. 458-464, 2009. [CrossRef]
100. LLORET, G.R. ; CUNHA NETO, A. ; RITTNER, R. ; BITENCOURT, M. ; FREITAS, M. P. ; AQUINO, N. S. . SYNTHESIS AND RATIONAL DESIGN OF ANTI-INFLAMMATORY COMPOUNDS: N-PHENYL-CYCLOHEXENYLSULFONAMIDE DERIVATIVES. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY , V. 22, P. 1188-1192, 2009. [CrossRef]
​
99. GOODARZI, M. ; FREITAS, M. P. ; JENSEN, R. . FEATURE SELECTION AND LINEAR/NON-LINEAR REGRESSION METHODS FOR THE ACCURATE PREDICTION OF GLYCOGEN SYNTHASE KINASE-3b INHIBITORY ACTIVITIES. JOURNAL OF CHEMICAL INFORMATION AND MODELING , V. 49, P. 824-832, 2009. [CrossRef]
98. CUNHA, EFF ; ALBUQUERQUE, M. G. ; DE ALENCASTRO, RB ; RAMALHO, T. C. ; SIPPL W . 3D-QSAR COMFA/COMSIA MODELS BASED ON THEORETICAL ACTIVE CONFORMERS OF HOE/BAY-793 ANALOGS DERIVED FROM HIV-1 PROTEASE-INHIBITOR COMPLEXES. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2009. [CrossRef]
97. HENRIQUE, D. ; RAMALHO, T. C. . UNDERSTANDING THE SUBSTITUENT EFFECT ON THE ACIDITY OF ALCOHOLS AND PARA-SUBSTITUTED PHENOLS. MOLECULAR SIMULATION, 2009. [CrossRef]
96. DE CARVALHO, H.W.P. ; BATISTA, A.P.L. ; HAMMER, P. ; PEREIRA, GH ; RAMALHO, T. C. . REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION BY CHELATING POLYMERIC HYDROGEL. ENVIRONMENTAL CHEMISTRY LETTERS, 2009. [CrossRef]
95. OLIVEIRA, A. A. ; DA CUNHA, ELAINE F. F. ; RAMALHO, T. C. . QSAR STUDY OF ANDROSTENEDIONE ANALOGS AS AROMATASE INHIBITORS. LETTERS IN DRUG DESIGN & DISCOVERY, 2009. [CrossRef]
94. OLIVEIRA, L.C.A. ; ZAERA, F. ; LEE, I. ; OLIVEIRA, D. Q. L. ; RAMALHO, T. C. ; SILVA, A.C. ; FONSECA, E.M.B. . NB-DOPED HEMATITES FOR DECOMPOSITION OF ISOPROPANOL:EVIDENCE OF SURFACE REACTIVITY BY IN SITU CO ADSORPTION. APPLIED CATALYSIS. A, GENERAL, 2009. [CrossRef]
93. GRILLO, RENATO ; MELO, NATHALIE F. S. ; ARAÚJO, DANIELE R. ; TROSSINI, GUSTAVO H. G. ; DA CUNHA, ELAINE F. F. ; CASTRO RAMALHO, TEODORICO ; FRACETO, LEONARDO FERNANDES ; RAMALHO, T. C. . HOST GUEST COMPLEXATION OF A NITROHETEROCYCLIC COMPOUND WITH CYCLODEXTRINS: A SPECTROFLUORIMETRIC AND MOLECULAR MODELING STUDY. JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY, 2009. [CrossRef]
92. TOLEDO, E.J.L. ; RAMALHO, T. C. ; CUSTODIO, R. ; MAGRIOTIS, Z. . ELECTRICAL FIELD EFFECTS ON DIPOLE MOMENT, STRUCTURE AND ENERGETIC OF (H2O)N (2 < N < 15) CLUSTER. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM (PRINT), 2009. [CrossRef]
91. RAMALHO, T. C. ; DE CARVALHO, H.W.P. ; BATISTA, A.P.L. ; PEREZ, C. A. ; GOBBI, A.L. . PHOTOCATALYTIC DECOMPOSITION OF METHYLENE BLUE VIA FENTON MECHANISMS BY SILICON WAFER DOPED WITH AU AND CU: A THEORETICAL AND EXPERIMENTAL STUDY. JOURNAL OF MATERIALS SCIENCE, V. 44, P. 1029-1034, 2009. [CrossRef]
​
90. RAMALHO, T ; MARTINS, TLC ; BORGES, LEP ; DE PINHO, M.H. . INFLUENCE OF ZN-CD SUBSTITUTION: SPECTROSCOPIC AND THEORETICAL INVESTIGATION OF 8-HYDROXYQUINOLINE COMPLEXES.SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, V. 72, P. 726-729, 2009. [CrossRef]
​
89. CAETANO, M. S. ; RAMALHO, T. C. ; DA CUNHA, ELAINE F. F. ; JOSA, D. ; DE SOUZA, T. C. S. . ANALYSIS OF WILD-TYPE AND GLY96ALA MUTANT EPSP SYNTHASE STRUCTURES VIA IN SILICO DOCKING WITH INHIBITORS AND MOLECULAR DYNAMICS SIMULATION. CURRENT BIOACTIVE COMPOUNDS, V. 5, P. 110-118, 2009. [CrossRef]
88. SILVA, A.C. ; OLIVEIRA, D. Q. L. ; ANASTACIO, A. S. ; RAMALHO, T. C. ; LOPES, J. H. ; DE CARVALHO, H.W.P. ; TORRES, C. E. R. . NB-CONTAINING HEMATITES FE2-XNBXO3: THE ROLE OF NB5+ ON THE REACTIVITY IN PRESENCE OF THE H2O2 OR ULTRAVIOLET LIGHT. APPLIED CATALYSIS. A, GENERAL, V. 357, P. 79-84, 2009. [CrossRef]
87. RAMALHO, T. C. ; OLIVEIRA, L.C.A. ; CARVALHO, KELE T. G. ; DA CUNHA, ELAINE F. F. ; SOUZA, E. F. . THE MOLECULAR BASIS FOR THE BEHAVIOR OF NIOBIA SPECIES IN OXIDATION REACTION PROBED BY THEORETICAL CALCULATIONS AND EXPERIMENTAL TECHNIQUES. MOLECULAR PHYSICS, V. 107, P. 171-179, 2009. [CrossRef]
86. RAMALHO, T. C. ; CAETANO, M. S. ; DA CUNHA, ELAINE F. F. ; ROCHA, M. V. ; DE SOUZA, T. C. S. . CONSTRUCTION AND ASSESSMENT OF REACTION MODELS OF CLASS I EPSP SYNTHASE: MOLECULAR DOCKING AND DENSITY FUNCTIONAL THEORETICAL CALCULATIONS. JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS, V. 27, P. 195-208, 2009. [CrossRef]
85. RAMALHO, T. C. ; ROCHA, M. V. ; CUNHA, EFF ; FREITAS MP . THE SEARCH FOR NEW COX-2 INHIBITORS: A REVIEW OF 2002 2008 PATENTS. EXPERT OPINION ON THERAPEUTIC PATENTS, V. 19, P. 1193-1228, 2009. [CrossRef]
84. DE CARVALHO, H.W.P. ; BATISTA, A.P.L. ; RAMALHO, T. C. ; GOBBI, A.L. ; PEREZ, C. A. . THE INTERACTION BETWEEN ATOMS OF AU AND CU WITH CLEAN SI(1 1 1) SURFACE: A STUDY COMBINING SYNCHROTRON RADIATION GRAZING INCIDENCE X-RAY FLUORESCENCE ANALYSIS AND THEORETICAL CALCULATIONS. SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, V. 74, P. 292-296, 2009. [CrossRef]
83. GOODARZI, M. ; FREITAS MP ; RAMALHO, T. C. . PREDICTION OF 13C CHEMICAL SHIFTS IN METHOXYFLAVONOL DERIVATIVES USING MIA-QSPR.. SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, V. 74, P. 563-568, 2009.
​
82. OLIVEIRA, L.C.A. ; RAMALHO, T. C. ; SOUZA, E. F. ; GUERREIRO, MC . CATALYTIC PROPERTIES OF GOETHITE PREPARED IN NB PRESENCE ON OXIDATION REACTIONS IN WATER: COMPUTATIONAL AND EXPERIMENTAL STUDIES. APPLIED CATALYSIS. B, ENVIRONMENTAL, V. 83, P. 169-176, 2008. [CrossRef]
​
81. CUNHA, EFF ; RAMALHO, T. C. ; FREITAS MP . NOVEL ANTI-HIV CYCLOTRIAZADISULFONAMIDE DERIVATIVES AS MODELED BY LIGAND- AND RECEPTOR-BASED APPROACHES. BIOORGANIC & MEDICINAL CHEMISTRY, V. 16, P. 1683-1690, 2008. [CrossRef]
​
80. JOSA, D. ; CUNHA, EFF ; RAMALHO, T. C. ; CAETANO, M. S. ; DE SOUZA, T. C. S. . HOMOLOGY MODELING OF WILD-TYPE, D516V AND H526L MYCOBACTERIUM TUBERCULOSIS RNA POLYMERASE AND THEIR MOLECULAR DOCKING STUDY WITH INHIBITORS. JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS, V. 25, P. 373-376, 2008. [CrossRef]
​
79. TOLEDO, E.J.L. ; RAMALHO, T. C. ; MAGRIOTIS, Z. . INFLUENCE OF MAGNETIC FIELD ON PHYSICAL-CHEMICAL PROPERTIES OF THE LIQUID WATER: INSIGHTS FROM EXPERIMENTAL AND THEORETICAL MODELS. JOURNAL OF MOLECULAR STRUCTURE, V. 873, P. 409-415, 2008. [CrossRef]
​
78. CUNHA, EFF ; RAMALHO, T. C. ; REYNOLDS, R. . BINDING MODE ANALYSIS OF 2,4-DIAMINO-5-METHYL-5-DEAZA-6-SUBSTITUTED PTERIDINES WITH MYCOBACTERIUM TUBERCULOSIS AND HUMAN DIHYDROFOLATE REDUCTASES. JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS, V. 25, P. 377-386, 2008. [CrossRef]
​
77. DE SOUZA, T. C. S. ; CUNHA, EFF ; RAMALHO, T. C. ; JOSA, D. ; CAETANO, M. S. . MOLECULAR MODELLING OF MYCOBACTERIUM TUBERCULOSIS ACETOLACTATE SYNTHASE CATALYTIC SUBUNIT. MOLECULAR SIMULATION, V. 34, P. 707-713, 2008. [CrossRef]
​
76. GUIMARAES, I. R. ; OLIVEIRA, L.C.A. ; RAMALHO, T. C. ; FABRIS, J.D. . MODIFIED GOETHITES AS CATALYST FOR OXIDATION OF QUINOLINE: EVIDENCE OF HETEROGENEOUS FENTON PROCESS. APPLIED CATALYSIS. A, GENERAL, V. 347, P. 89-93, 2008. [CrossRef]
​
75. COELHO, J. ; FREITAS MP ; RAMALHO, T. C. . THE ROLE OF CARBONYL AND THIOCARBONYL GROUPS IN THE CONFORMATIONAL ISOMERISM OF HALOACETONES AND HALOTHIOACETONES. STRUCTURAL CHEMISTRY, V. 19, P. 671-677, 2008. [CrossRef]
​
74. ANTUNES, J ; DA CUNHA, ELAINE F. F. ; FREITAS MP ; RAMALHO, T. C. ; RITTNER, R . IN SILICO PREDICTION OF NOVEL PHOSPHODIESTERASE TYPE-5 INHIBITORS DERIVED FROM SILDENAFIL, VARDENAFIL AND TADALAFIL. BIOORGANIC & MEDICINAL CHEMISTRY, V. 16, P. 7599-7606, 2008. [CrossRef]
​
73. RAMALHO, T. C. ; OLIVEIRA, L.C.A. ; CARVALHO, K. T. ; SOUZA, E. F. ; DA CUNHA, ELAINE F. F. ; NAZZARO, MARCELO . CATALYTIC BEHAVIOR OF NIOBIA SPECIES ON OXIDATION REACTIONS: INSIGHTS FROM EXPERIMENTAL AND THEORETICAL MODELS. JOURNAL OF MATERIALS SCIENCE, V. 43, P. 5982-5988, 2008. [CrossRef]
​
72. RAMALHO, T. C. ; DA CUNHA, ELAINE F. F. ; FIGUEROA-VILLAR, J. D. ; PEIXOTO, FERNANDO C. . COMPUTATIONAL NMR INVESTIGATION OF RADIOSENSITIZER IN SOLUTION. JOURNAL OF THEORETICAL AND COMPUTATIONAL CHEMISTRY, V. 7, P. 37-52, 2008. [CrossRef]
​
71. ESTEVES, A ; OLIVEIRA, L.C.A. ; RAMALHO, T. C. ; DE CARVALHO, H.W.P. ; GONCALVEZ, M. . NEW MATERIALS BASED ON MODIFIED SYNTHETIC NB2O5 AS PHOTOCATALYST FOR OXIDATION OF ORGANIC CONTAMINANTS. CATALYSIS COMMUNICATIONS, V. 10, P. 330-332, 2008. [CrossRef]
​
70. FREITAS MP ; DA CUNHA, ELAINE F. F. ; RAMALHO, T. C. ; GOODARZI, M. . MULTIMODE METHODS APPLIED ON MIA DESCRIPTORS IN QSAR P. CURRENT COMPUTER-AIDED DRUG DESIGN, V. 4, P. 273-282, 2008. [CrossRef]
69. FREITAS, M. P. ; RITTNER, R. . MIA-QSAR AS AN ALTERNATIVE APPROACH FOR MODELLING SOME ANTIFUNGALS. QSAR & COMBINATORIAL SCIENCE , V. 27, P. 582-585, 2008. [CrossRef]
68. ANTUNES, J. E. ; FREITAS, M. P. ; RITTNER, R. . BIOACTIVITIES OF A SERIES OF PHOSPHODIESTERASE TYPE 5 (PDE-5) INHIBITORS AS MODELLED BY MIA-QSAR. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY , V. 43, P. 1632-1638, 2008. [CrossRef]
67. FREITAS, M. P. . MULTIVARIATE IMAGE ANALYSIS APPLIED TO QSAR: EVALUATION TO A SERIES OF POTENTIAL ANXIOLYTIC AGENTS. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS , V. 91, P. 173-176, 2008. [CrossRef]
​
66. DUCATI, L. C. ; FREITAS, M. P. ; TORMENA, C. F. ; RITTNER, R. . THE CASE OF INTRAMOLECULAR HYDROGEN BONDING, HYPERCONJUGATION AND CLASSICAL EFFECTS ON THE CONFORMATIONAL ISOMERISM OF SUBSTITUTED CARBONYL AND THIOCARBONYL COMPOUNDS. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM , V. 581, P. 147-157, 2008. [CrossRef]
65. BITENCOURT, M. ; FREITAS, M. P. . MIA-QSAR EVALUATION OF A SERIES OF SULFONYUREA HERBICIDES. PEST MANAGEMENT SCIENCE , V. 64, P. 800-807, 2008. [CrossRef]
64. FREITAS, M. P. . A 2D IMAGE-BASED APPROACH FOR MODELLING SOME GLYCOGEN SYNTHASE KINASE 3 INHIBITORS. MEDICINAL CHEMISTRY RESEARCH , V. 16, P. 461-467, 2008. [CrossRef]
63. FREITAS, M. P. ; TORMENA, C. F. ; RITTNER, R. ; ABRAHAM, R. J. . THE ROLE OF STEREOELECTRONIC INTERACTIONS IN THE CONFORMATIONAL ISOMERISM OF SOME PHOSPHORUS-CONTAINING MODEL COMPOUNDS. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY , V. 21, P. 505-509, 2008. [CrossRef]
62. MARTINS, L. E. ; FREITAS, M. P. . ANOMERIC EFFECT PLAYS A MAJOR ROLE IN THE CONFORMATIONAL ISOMERISM OF FLUORINATED PNICTOGEN COMPOUNDS. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY , V. 21, P. 881-885, 2008. [CrossRef]
61. SOUZA, F. R. ; FREITAS, M. P. ; RITTNER, R. . ON THE STEREOELECTRONIC EFFECTS GOVERNING THE ROTATIONAL ISOMERISM OF 1,2-DI-HALOETHANES. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM , V. 863, P. 137-140, 2008. [CrossRef]
60. GOODARZI, M. ; FREITAS, M. P. . PREDICTING BOILING POINTS OF ALIPHATIC ALCOHOLS THROUGH MIA-QSPR. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY , V. 112, P. 11263-11265, 2008. [CrossRef]
59. GOODARZI, M. ; FREITAS, M. P. . AUGMENTED THREE-MODE MIA-QSAR MODELLING FOR A SERIES OF ANTI-HIV-1 COMPOUNDS.QSAR & COMBINATORIAL SCIENCE , V. 27, P. 1092-1097, 2008. [CrossRef]
​
58. GUERREIRO, MC ; OLIVEIRA, L.C.A. ; RAMALHO, T. C. . A NEW CATALYST MATERIAL BASED ON NIOBIA/IRON OXIDE COMPOSITE ON THE OXIDATION OF ORGANIC CONTAMINANTS IN WATER VIA HETEROGENEOUS FENTON MECHANISMS. APPLIED CATALYSIS. A, GENERAL, V. 316, P. 117-124, 2007. [CrossRef]
​
57. RAMALHO, T. C. ; CUNHA, EFF ; ESPINOLA, A. ; DE ALENCASTRO, RB . DIFFERENTIAL COMPLEXATION BETWEEN ZN2+ AND CD2+: A COMPUTATIONAL CHEMISTRY STUDY. WATER, AIR AND SOIL POLLUTION, V. 183, P. 467-472, 2007. [CrossRef]
​
56. RAMALHO, T. C. ; CUNHA, EFF ; DE ALENCASTRO, RB ; MAIA, ER . DOCKING SIMULATIONS AND QM/MM STUDIES BETWEEN ISONIAZID PRODRUG, CATALASE-PEROXIDASE (KATG) AND S315T MUTANT FROM MYCOBACTERIUM TUBERCULOSIS. COMPUTATIONAL AND MATHEMATICAL METHODS IN MEDICINE, V. 08, P. 113-124, 2007. [CrossRef]
​
55. CUNHA, EFF ; RAMALHO, T. C. ; DE SOUZA, T. C. S. ; CAETANO, M. S. ; JOSA, D. . TARGETING INHIBITION OF COX-2: A REVIEW OF PATENTS, 2002 - 2006. RECENT PATENTS ON INFLAMMATION & ALLERGY DRUG DISCOVERY, V. 02, P. 108-123, 2007. [CrossRef]
54. RODRIGUES, FN ; RAMALHO, T. C. ; BERNINI, RB ; DE SOUZA, GGB . AB INITIO AND EXPERIMENTAL STATIC POLARIZABILITY FOR AN HALOGENATED ANESTHETIC (HALOTHANE). JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, V. 156, P. LXIV-LXV, 2007. [CrossRef]
53. OLIVEIRA, L.C.A. ; RAMALHO, T. C. ; CARVALHO, K. T. ; GONCALVEZ, M. . PURE NIOBIA AS CATALYST FOR THE OXIDATION OF ORGANIC CONTAMINANTS: MECHANISM STUDY VIA ESI-MS AND THEORETICAL CALCULATIONS. CHEMICAL PHYSICS LETTERS, V. 446, P. 133-137, 2007. [CrossRef]
52. FREITAS, M. P. ; RITTNER, R. . INVESTIGATION OF THE STEREOELECTRONIC PROPERTIES IN 1,2-DIFLUOROCYCLOPROPANE AND 1,2-DIFLUOROCYCLOHEXANE: EVALUATION OF THE GAUCHE EFFECT. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM , V. 807, P. 159-162, 2007. [CrossRef]
51. FREITAS, M. P. ; BITENCOURT, M. ; RITTNER, R. . CONFORMATIONAL AND STEREOELECTRONIC INVESTIGATION IN 1,2-DIFLUOROPROPANE: THE GAUCHE EFFECT. JOURNAL OF MOLECULAR STRUCTURE , V. 840, P. 133-136, 2007. [CrossRef]
50. FREITAS, M. P. . MULTIVARIATE QSAR: FROM CLASSICAL DESCRIPTORS TO NEW PERSPECTIVES. CURRENT COMPUTER-AIDED DRUG DESIGN , V. 3, P. 235-239, 2007. [CrossRef]
49. FREITAS, M. P. ; SILVA, V. L. ; CARVALHO, R. ; TORMENA, C. F. ; MELO, W. C. . STRUCTURAL DETERMINATION OF ZN AND CD-DTPA COMPLEXES: MS, INFRARED, 13C NMR AND THEORETICAL INVESTIGATION. SPECTROCHIMICA ACTA. PART A, MOLECULAR SPECTROSCOPY, V. 68, P. 1197-1200, 2007. [CrossRef]
48. FREITAS, M. P. ; SILVA, V. L. ; CARVALHO, R. ; TORMENA, C. F. ; MELO, W. C. . SPECTROMETRIC AND THEORETICAL INVESTIGATION OF THE STRUCTURES OF CU AND PB/DTPA COMPLEXES. STRUCTURAL CHEMISTRY , V. 18, P. 605-609, 2007. [CrossRef]
47. FREITAS, M. P. ; RITTNER, R. . IS THERE A GENERAL RULE FOR THE GAUCHE EFFECT IN THE CONFORMATIONAL ISOMERISM OF 1,2-DISUBSTITUTED ETHANES?. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY , V. 111, P. 7233-7236, 2007. [CrossRef]
46. MAGER, P. P. ; FREITAS, M. P. . MULTIVARIATE QSAR METHODS (EDITORIAL). CURRENT COMPUTER-AIDED DRUG DESIGN , V. 3, P. 234, 2007. [CrossRef]
​
45. DA SILVA, RR ; RAMALHO, T. C. ; SANTOS, J.M. ; FIGUEROA-VILLAR, J. D. . ON THE LIMITS OF HIGHEST-OCCUPIED MOLECULAR ORBITAL DRIVEN REACTIONS: THE FRONTIER EFFECTIVE-FOR-REACTION MOLECULAR ORBITAL CONCEPT. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, V. 110, P. 1031-1040, 2006. [CrossRef]
44. CUNHA, EFF ; RAMALHO, T. C. ; TAFT, C. ; DE ALENCASTRO, RB . COMPUTER-ASSISTED ANALYSIS OF THE INTERACTIONS OF MACROCYCLIC INHIBITORS WITH WILD TYPE AND MUTANT D168A HEPATITIS C VIRUS NS3 SERINE PROTEASE. LETTERS IN DRUG DESIGN & DISCOVERY, V. 3, P. 625-632, 2006. [CrossRef]
43. FRANÇA TCC ; RAMALHO, T. C. ; PASCUTTI P ; FIGUEROA-VILLAR, J. D. . MOLECULAR DYNAMICS OF THE INTERACTION OF PLASMODIUM FALCIPARUM AND HUMAN SERINE HYDROXYMETHYLTRANSFERASE WITH 5-FORMYL-6-HYDROFOLIC ACID ANALOGUES: DESIGN OF NEW POTENTIAL ANTIMALARIALS. JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, V. 17, P. 1383-1392, 2006. [CrossRef]
41. DA SILVA, RR ; SANTOS, J.M. ; RAMALHO, T. C. ; FIGUEROA-VILLAR, J. D. . CONCERNING THE FERMO CONCEPT AND PEARSON S HARD AND SOFT ACID-BASE PRINCIPLE. JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, V. 17, P. 223-226, 2006. [CrossRef]
40. DA SILVA, RR ; RAMALHO, T. C. ; SANTOS, J.M. ; FIGUEROA-VILLAR, J. D. . REPLY TO COMMENT ON THE PAPER ON THE LIMITS OF HIGHEST-OCCUPIED MOLECULAR ORBITAL DRIVEN REACTIONS: THE FRONTIER EFFECTIVE-FOR-REACTION MOLECULAR ORBITAL CONCEPT. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, V. 110, P. 10653-10654, 2006. [CrossRef]
39. BARATIERI, S. C. ; BARBOSA, J. M. ; FREITAS, M. P. ; MARTINS, J. A. . MULTIVARIATE ANALYSIS OF NYSTATIN AND METRONIDAZOLE IN A SEMI-SOLID MATRIX BY MEANS OF DIFFUSE REFLECTANCE NIR SPECTROSCOPY AND PLS REGRESSION. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS , GRÃ-BRETANHA, V. 40, P. 51-55, 2006. [CrossRef]
38. FREITAS, M. P. . MIA-QSAR MODELLING OF ANTI-HIV-1 ACTIVITIES OF SOME 2-AMINO-6-ARYLSULFONYLBENZONITRILES AND THEIR THIO AND SULFINYL CONGENERS. ORGANIC AND BIOMOLECULAR CHEMISTRY , GRÃ-BRETANHA, V. 4, P. 1154-1159, 2006. [CrossRef]
37. FREITAS, M. P. ; DUCATI, L. C. ; TORMENA, C. F. ; RITTNER, R. . CONFORMATIONAL AND STEREOELECTRONIC INVESTIGATION OF CHLOROMETHYL METHYLSULFIDE AND THEIR SULFINYL AND SULFONYL ANALOGS. JOURNAL OF MOLECULAR STRUCTURE , V. 800, P. 45-50, 2006. [CrossRef]
​
​