Dr. Silvia Antonia Brandan
ProfessorNational University of Tucuman, Argentina
Highest Degree
PostDoc. in Inorganic Chemistry from University of Alicante, Spain
Share this Profile
Area of Interest:
Selected Publications
- Trabelsi, S., N. Issaoui, S.A. Brandan, F. Bardak, T. Roisnel, A. Atac and H. Marouani, 2019. Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI). J. Mol. Struct., 1185: 168-182.
CrossRef | Direct Link | - Rudyk, R.A., M.A. Checa, C.A.N. Catalan and S.A. Brandan, 2019. Structural, FT-IR, FT-Raman and ECD studies on the free base, cationic and hydrobromide species of scopolamine alkaloid. J. Mol. Struct., 1180: 603-617.
CrossRef | Direct Link | - Romani, D., J.R. Hidalgo, M.A. Iramain and S.A. Brandan, 2019. Structures, reactivities and vibrational study of species derived from the adrenergic α2 receptor agonist guanfacine agent. Int. J. Sci. Res. Methodol., 12: 74-98.
Direct Link | - Minteguiaga, M., E. Dellacassa, M.A. Iramain, C.A. Catalan and S.A. Brandan, 2019. FT-IR, FT-Raman, UV-Vis, NMR and structural studies of carquejyl acetate, a distinctive component of the essential oil from Baccharis trimera (less.) DC. (Asteraceae). J. Mol. Struct., 1177: 499-510.
CrossRef | Direct Link | - Marquez, M.J., M.A. Iramain and S.A. Brandan, 2019. Ab-initio and vibrational studies on free base, cationic and derived from antihistaminic cyclizine agent. Int. J. Sci. Res. Methodol., 11: 53-87.
Direct Link | - Manzur, M.E., R.A. Rudyk and S.A. Brandan, 2019. Evaluating properties of free base, cationic and hydrochloride species of potent psychotropic 4-bromo-2,5-dimethoxyphenethylamine drug. Int. J. Curr. Adv. Res., 8: 17921-17934.
CrossRef | Direct Link | - Ladetto, M.F., M.J. Marquez, D. Romani and S.A. Brandan, 2019. Structural and vibrational studies on isomers of antiviral ribavirin drug in gas and aqueous environmental by using the SQM approach. J. Adv. Chem., 16: 6325-6353.
CrossRef | Direct Link | - Kausteklis, J., V. Aleksa, M.A. Iramain and S.A. Brandan, 2019. DFT and vibrational spectroscopy study of 1-butyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid. J. Mol. Struct., 1175: 663-676.
CrossRef | Direct Link | - Iramain, M.A., L. Davies and S.A. Brandan, 2019. Structural and spectroscopic differences among the potassium 5-hydroxypentanoyltrifluoroborate salt and the furoyl and isonicotinoyl salts. J. Mol. Struct., 1176: 718-728.
CrossRef | Direct Link | - Iramain, M.A., J.R. Hidalgo and S.A. Brandan, 2019. Predicting properties of species derived from N-(1H-indol-3-ylmethyl)-N,N dimethylamine, gramine, a indol alkaloid. Int. J. Curr. Adv. Res., 8: 18113-18124.
CrossRef | Direct Link | - Iramain, M.A., J.R. Hidalgo and S.A. Brandan, 2019. Effect of media on the properties of monoterpene cyclic eucalyptol. Int. J. Sci. Res. Methodol., 12: 70-101.
Direct Link | - Iramain, M.A., A.E. Ledesma and S.A. Brandan, 2019. Structural properties and vibrational analysis of potassium 5-Br-2-isonicotinoyltrifluoroborate salt. Effect of Br on the isonicotinoyl ring. J. Mol. Struct., 1184: 146-156.
CrossRef | Direct Link | - Hidalgo, J.R., A. Neske, M.A. Iramain, P.E. Alvarez, P.L. Bongiorno and S.A. Brandan, 2019. FT-IR, FT-Raman and UV-visible spectra of motrilin acetogenin isolated from Annona cherimolia. J. Mol. Struct., 1196: 508-517.
CrossRef | Direct Link | - Rudyk, R.A., M.A. Checa, K.A. Guzzetti, M.A. Iramain and S.A. Brandan, 2018. Behaviour of N-CH3 group in tropane alkaloids and correlations in their properties. Int. J. Sci. Res. Methodol., 10: 70-97.
Direct Link | - Romani, D. and S.A. Brandan, 2018. Spectroscopic studies and vibrational analysis of quinic acid by using DFT calculations and the SQM approach. Int. J. Sci. Res. Methodol., 11: 25-56.
Direct Link | - Minteguiaga, M., E. Dellacassa, M.A. Iramain, C.A. Catalan and S.A. Brandan, 2018. Synthesis, spectroscopic characterization and structural study of 2-isopropenyl-3-methylphenol, carquejiphenol, a carquejol derivative with potential medicinal use. J. Mol. Struct., 1165: 332-343.
CrossRef | Direct Link | - Marquez, M.J., D. Romani, S.B. Diaz and S.A. Brandan, 2018. Structural and vibrational characterization of anhydrous and dihydrated species of trehalose based on the FTIR and FTRaman spectra and DFT calculations. J. King Saud Univ.-Sci., 30: 229-249.
CrossRef | Direct Link | - M'leh, C.B., S.A. Brandan, N. Issaoui, T. Roisnel and H. Marouani, 2018. Synthesis, molecular structure, vibrational and theoretical studies of a new non-centrosymmetric organic sulphate with promising NLO properties. J. Mol. Struct., 1171: 771-785.
CrossRef | Direct Link | - Kausteklis, J., V. Aleksa, M.A. Iramain and S.A. Brandan, 2018. Effect of cation-anion interactions on the structural and vibrational properties of 1-buthyl-3-methyl imidazolium nitrate ionic liquid. J. Mol. Struct., 1164: 563-576.
CrossRef | Direct Link | - Iramain, M.A., M.J. Marquez, A.E. Ledesma and S.A. Brandan, 2018. Vibrational assignments of two polymorphic forms of metaxolone by using DFT calculations and the SQM methodology. Int. J. Sci. Res. Methodol., 8: 312-334.
Direct Link | - Iramain, M.A., L. Davies and S.A. Brandan, 2018. FT-IR, FT-Raman and UV-visible spectra of potassium 3-furoyltrifluoroborate salt. J. Mol. Struct., 1158: 245-254.
CrossRef | Direct Link | - Iramain, M.A., L. Davies and S.A. Brandan, 2018. Evaluating structures, properties and vibrational and electronic spectra of the potassium 2-isonicotinoyltrifluoroborate salt. J. Mol. Struct., 1163: 41-53.
CrossRef | Direct Link | - Iramain, M.A. and S.A. Brandan, 2018. Structural and vibrational study on the acid, hexa-hydrated and anhydrous trisodic salts of antiviral drug Foscarnet. Drug Des. Intellectual Propert. Int. J., 1: 90-106.
CrossRef | Direct Link | - Gatfaoui, S., N. Issaoui, S.A. Brandan, T. Roisnel and H. Marouani, 2018. Synthesis and characterization of p-xylylenediaminium bis (nitrate). Effects of the coordination modes of nitrate groups on their structural and vibrational properties. J. Mol. Struct., 1151: 152-168.
CrossRef | Direct Link | - Castillo, M.V., M.A. Iramain, L. Davies, M.E. Manzur and S.A. Brandan, 2018. Evaluation of the structural properties of powerful pesticide dieldrin in different media and their complete vibrational assignment. J. Mol. Struct., 1154: 392-405.
CrossRef | Direct Link | - Brandan, S.A., 2018. Understanding the potency of heroin against morphine and cocaine. Int. J. Sci. Res. Methodol., 12: 97-140.
Direct Link | - Brandan, S.A. and M.A. Iramain, 2018. Structural and vibrational properties of three species of anti-histaminic diphenhydramine by using DFT calculations and the SQM approach. To Chem. J., 1: 88-113.
Direct Link | - Alvarez, P.E., M.V. Fiori-Bimbi, A. Neske, S.A. Brandan and C.A. Gervasi, 2018. Rollinia occidentalis extract as green corrosion inhibitor for carbon steel in HCl solution. J. Ind. Eng. Chem., 58: 92-99.
CrossRef | Direct Link | - Rudyk, R.A. and S.A. Brandan, 2017. Force field, internal coordinates and vibrational study of alkaloid tropane hydrochloride by using their infrared spectrum and DFT calculations. Paripex: Indian J. Res., 6: 616-623.
- Romano, E., L. Davies and S.A. Brandan, 2017. Structural properties and FTIR-Raman spectra of the anti-hypertensive clonidine hydrochloride agent and their dimeric species. J. Mol. Struct., 1133: 226-235.
CrossRef | Direct Link | - Romani, D. and S.A. Brandan, 2017. Vibrational analyses of alkaloid cocaine as free base, cationic and hydrochloride species based on their internal coordinates and force fields. Paripex: Indian J. Res., 6: 587-602.
- Romani, D. and S.A. Brandan, 2017. Spectroscopic and structural study of the antiviral idoxuridine agent by using DFT and SCRF calculations. Int. J. Sci. Res. Methodol., 8: 66-86.
Direct Link | - Romani, D. and S.A. Brandan, 2017. Investigating the structural and vibrational properties of the nucleoside reverse transcriptase inhibitor emtricitabine. Int. J. Sci. Res. Methodol., 8: 236-277.
Direct Link | - Minteguiaga, M., E. Dellacassa, M.A. Iramain, C.A. Catalan and S.A. Brandan, 2017. A structural and spectroscopic study on carquejol, a relevant constituent of the medicinal plant Baccharis trimera (Less.) DC. (Asteraceae). J. Mol. Struct., 1150: 8-20.
CrossRef | Direct Link | - Issaoui, N., H. Ghalla, S.A. Brandan, F. Bardak, H.T. Flakus, A. Atac and B. Oujia, 2017. Experimental FTIR and FT-Raman and theoretical studies on the molecular structures of monomer and dimer of 3-thiopheneacrylic acid. J. Mol. Struct., 1135: 209-221.
CrossRef | Direct Link | - Iramain, M.A., A.E. Ledesma, D. Romani and S.A. Brandan, 2017. Structural, electronic, topological and vibrational properties of isomers of thymidine-a study combining spectroscopic data with DFT calculations. Int. J. Sci. Res. Methodol., 8: 197-238.
Direct Link | - Iramain, M.A., A.E. Ledesma and S.A. Brandan, 2017. Analizando the effects of halogen on properties of a halogenated series of R and S enantiomers analogues alkaloid cocainex, X=F, CL, BR, I. Paripex: Indian J. Res., 6: 454-463.
Direct Link | - Iramain, M.A. and S.A. Brandan, 2017. Effect of carboxyl and carboxamide substituent groups on fluorinated pyrazine species with antitubercular activities. Paripex: Indian J. Res., 6: 613-625.
Direct Link | - Chain, F., M.A. Iramain, A. Grau, C.A. Catalan and S.A. Brandan, 2017. Evaluation of the structural, electronic, topological and vibrational properties of N-(3,4-dimethoxybenzyl)-hexadecanamide isolated from Maca (Lepidium meyenii) using different spectroscopic techniques. J. Mol. Struct., 1128: 653-664.
CrossRef | Direct Link | - Castillo, M.V., R.A. Rudyk, L. Davies and S.A. Brandan, 2017. Analysis of the structure and the FT-IR and Raman spectra of 2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one. Comparisons with the chlorinated and methylated derivatives. J. Mol. Struct., 1140: 2-11.
CrossRef | Direct Link | - Castillo, M.V., J.L. Pergomet, G.A. Carnavale, L. Davies, J. Zinczuk and S.A. Brandan, 2017. FTIR, FTRaman, UV-visible and NMR spectroscopic studies on 3,3′,4,4′-tetrachloroazoxybenzene, an azoxybenzene derivative with toxic effects. J. Mol. Struct., 1142: 18-27.
CrossRef | Direct Link | - Brandan, S.A., 2017. Why morphine is a molecule chemically powerful. Their comparison with cocaine. Indian J. Applied Res., 7: 511-528.
- Brandan, S.A., 2017. Vibrational characterization of monomers and dimers of cellulose by using DFT calculations and the SQM methodology. SDRP J. Comput. Chem. Mol. Modell., 1: 50-85.
CrossRef | Direct Link | - Brandan, S.A., 2017. Structural, topological, electronic and vibrational properties of the antiviral trifluridine agent. Their comparison with thymidine. Paripex: Indian J. Res., 6: 346-360.
- Romano, E. and S.A. Brandan, 2016. Vibrational analysis of the tautomers of the α-adrenergic agonist clonidine agent and their protonated species. ChemXpress, 9: 192-205.
Direct Link | - Romani, D., S. Tsuchiya, M. Yotsu-Yamashita and S.A. Brandan, 2016. Spectroscopic and structural investigation on intermediates species structurally associated to the tricyclic bisguanidine compound and to the toxic agent, saxitoxin. J. Mol. Struct., 1119: 25-38.
CrossRef | Direct Link | - Iramain, M.A., L. Davies and S.A. Brandan, 2016. FTIR, HATR and FT-Raman studies on the anhydrous and monohydrate species of maltose in aqueous solution. Carbohydr. Res., 428: 41-56.
CrossRef | Direct Link | - Chain, F.E., M.F. Ladetto, A. Grau, C.A. Catalan and S.A. Brandan, 2016. Structural, electronic, topological and vibrational properties of a series of N-benzylamides derived from Maca (Lepidium meyenii) combining spectroscopic studies with ONION calculations. J. Mol. Struct., 1105: 403-414.
CrossRef | Direct Link | - Castillo, M.V., E. Romano, A.B. Raschi and S.A. Brandan, 2016. Structural and Vibrational Investigation on a Benzoxazin Derivative with Potential Antibacterial Activity. In: Frontiers in Computational Chemistry, Volume 2: Computer Applications for Drug Design and Biomolecular Systems, Zaheer Ul-Haq and J.D. Madura (Eds.). Chapter 6, Bentham Science Publishers, Sharjah, UAE., ISBN: 978-1-60805-979-9, pp: 250-280.
- Bichara, L.C., P.E. Alvarez, M.V.F. Bimbi, H. Vaca, C. Gervasi and S.A. Brandan, 2016. Structural and spectroscopic study of a pectin isolated from citrus peel by using FTIR and FT-Raman spectra and DFT calculations. Infrared Phys. Technol., 76: 315-327.
CrossRef | Direct Link | - Rudyk, R.A., M.E. Ramos, M.A. Checa, E.E. Chamorro and S.A. Brandan, 2015. Structural and Vibrational Properties of 5-Trifluoromethyluracil Derivative Combining DFT and SCRF Calculations with SQM Methodology. In: Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment, Brandan, S.A. (Ed.). Chapter 4, Nova Science Publishers Inc., USA., ISBN-13: 9781634827089, pp: 77-107.
- Romani, D., M.J. Marquez, M.B. Marquez and S.A. Brandan, 2015. Structural, topological and vibrational properties of an isothiazole derivatives series with antiviral activities. J. Mol. Struct., 1100: 279-289.
CrossRef | Direct Link | - Romani, D. and S.A. Brandan, 2015. Structural and spectroscopic studies of two 1,3-benzothiazole tautomers with potential antimicrobial activity in different media. Prediction of their reactivities. Comput. Theoret. Chem., 1061: 89-99.
CrossRef | Direct Link | - Romani, D. and S.A. Brandan, 2015. Effect of the side chain on the properties from cidofovir to brincidofovir, an experimental antiviral drug against to Ebola virus disease. Arabian J. Chem., (In Press). 10.1016/j.arabjc.2015.06.030.
CrossRef | Direct Link | - Raschi, A.B., E. Romano, M.V. Castillo, P. Leyton and S.A. Brandan, 2015. Structural and Vibrational Properties of the Two Enantiomers of Etodolac: A Complete Assignment of the Vibrational Spectra. In: Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment, Brandan, S.A. (Ed.). Chapter 5, Nova Science Publishers Inc., USA., ISBN-13: 9781634827089, pp: 108-131.
- Marquez, M.J., M.B. Marquez, P.G. Cataldo and S.A. Brandan, 2015. A comparative study on the structural and vibrational properties of two potential antimicrobial and anticancer cyanopyridine derivatives. Open J. Synth. Theory Applic., 4: 1-19.
CrossRef | Direct Link | - Marquez, M.J., M.B. Marquez, M.F. Ladetto and S.A. Brandan, 2015. A structural and vibrational investigation on a material for sodium-ion batteries, the NASICON-type Na3V2(PO4)3 compound based on Ab-initio calculations. ChemXpress, 8: 57-73.
Direct Link | - Marquez, M.J., M.B. Marquez and S.A. Brandan, 2015. A Structural and Spectroscopic Study on Benzisozaxole Methane Sulfonic Acid Sodium Salt (BOSNa). In: Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment, Brandan, S.A. (Ed.). Chapter 6, Nova Science Publishers Inc., USA., ISBN-13: 9781634827089, pp: 132-157.
- Marquez, M.J., A.B. Brizuela, L. Davies and S.A. Brandan, 2015. Spectroscopic and structural studies on lactose species in aqueous solution combining the HATR and Raman spectra with SCRF calculations. Carbohydr. Res., 407: 34-41.
CrossRef | Direct Link | - Ladetto, M.F., M.B. Marquez and S.A. Brandan, 2015. Structural and Vibrational Properties of Oxcarbazepine, a Polymorphic Anticonvulsant Substance, by using DFT and SCRF Calculations. In: Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment, Brandan, S.A. (Ed.). Chapter 2, Nova Science Publishers Inc., USA., ISBN-13: 9781634827089, pp: 27-59.
- Ladetto, M.F., F.C. Caro, R.A. Rudyk, M.A. Checa and S.A. Brandan, 2015. Prediction of Reactivities of Sulfonylureas Herbicides using Different Descriptors. In: Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment, Brandan, S.A. (Ed.). Chapter 9, Nova Science Publishers Inc., USA., ISBN-13: 9781634827089, pp: 195-214.
- Iramain, M., M.F. Ladetto and S.A. Brandan, 2015. Predicting Conformations, Structural and Topological Properties and Reactivities of a Fluorinated Benzothiazol Derivative with Potential Biological Activates. In: Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment, Brandan, S.A. (Ed.). Chapter 3, Nova Science Publishers Inc., USA., ISBN-13: 9781634827089, pp: 60-76.
- Checa, M.A., R.A. Rudyk, E.E. Chamorro and S.A. Brandan, 2015. Structural and Vibrational Properties of a Reverse Inhibitor against the HIV Virus, Dideoxynucleoside Zalcitabine in Gas and Aqueous Solution Phases. In: Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment, Brandan, S.A. (Ed.). Chapter 1, Nova Science Publishers Inc., USA., ISBN-13: 9781634827089, pp: 1-26.
- Chain, F.E., P. Leyton, C. Paipa, M. Fortuna and S.A. Brandan, 2015. FT-IR, FT-Raman, UV-visible and NMR spectroscopy and vibrational properties of the labdane-type diterpene 13-epi-sclareol. Spectrochim. Acta Part A: Mol. Biomol. Spectrosc., 138: 303-313.
CrossRef | Direct Link | - Chain, F.E., E. Romano, P. Leyton, C. Paipa, C.A. Catalan, M. Fortuna and S.A. Brandan, 2015. Vibrational and structural study of onopordopicrin based on the FTIR spectrum and DFT calculations. Spectrochim. Acta Part A: Mol. Biomol. Spectrosc., 150: 381-389.
CrossRef | Direct Link | - Castillo, M.V., M.E. Manzur, L. Di Marco, V. Runco and S.A. Brandan, 2015. Structural and Vibrational Study of a Powerful Environmental Pollutant Agent, the Hexachlorobenzene Compound. In: Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment, Brandan, S.A. (Ed.). Chapter 7, Nova Science Publishers Inc., USA., ISBN-13: 9781634827089, pp: 158-173.
- Castillo, M.V., M.E. Manzur, L. Di Marco, L. Davies, V. Runco and S.A. Brandan, 2015. Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for the Health and the Environmental. In: Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment, Brandan, S.A. (Ed.). Chapter 8, Nova Science Publishers Inc., USA., ISBN-13: 9781634827089, pp: 174-194.
- Castillo, M.V., J.L. Pergomet, G.A. Carnavale, L. Davies, J. Zinczuk and S.A. Brandan, 2015. A complete vibrational study on a potential environmental toxicant agent, the 3,3′,4,4′-tetrachloroazobenzene combining the FTIR, FTRaman, UV-visible and NMR spectroscopies with DFT calculations. Spectrochim. Acta Part A: Mol. Biomol. Spectrosc., 134: 577-586.
CrossRef | Direct Link | - Brandan, S.A., 2015. Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment. Nova Science Publishers Inc., USA., ISBN-13: 9781634827089, Pages: 225.
- Bichara, L.C., H.E. Lanus, M.J. Marquez and S.A. Brandan, 2015. Characterization of natural orange juices employing physicochemical properties and FTIR spectroscopy: A study with the storage time. Res. Rev.: J. Food Dairy Technol., 3: 38-51.
Direct Link | - Abdelmoulahi, H., H. Ghalla, S.A. Brandan and S. Nasr, 2015. Structural study and vibrational analyses of the monomeric, dimeric, trimeric and tetrameric species of acetamide by using the FT-IR and Raman spectra, DFT calculations and SQM methodology. J. Mater. Environ. Sci., 6: 3094-3109.
Direct Link | - Romano, E., M.V. Castillo, M.B. Marquez, M.B. Gramajo and S.A. Brandan, 2014. Physicochemical properties of the antihypertensive agent 2-benzylimidazoline in aqueous and physiological solutions at 25 and 37°C. J. Mol. Liquids, 196: 285-290.
CrossRef | Direct Link | - Romano, E., J.L. Pergomet, J. Zinczuk and S.A. Brandan, 2014. Structural and Vibrational Properties of Some Quinoline Acetic Acid Derivatives with Potentials Biological Activities. In: Acetic Acids: Chemical Properties, Production and Applications, Basile, A. and A.B. Basile (Eds.). Chapter 3, Nova Science Publishers Inc., USA., ISBN-13: 9781629482170, pp: 75-98.
- Raschi, A.B., E. Romano, M.V. Castillo, P. Leyton, C. Paipa, L.M. Maldonado and S.A. Brandan, 2014. Vibrational study of caffeic acid phenethyl ester, a potential anticancer agent, by infrared, Raman and NMR spectroscopy. Vibr. Spectrosc., 70: 100-109.
CrossRef | Direct Link | - Marquez, M.B. and S.A. Brandan, 2014. A structural and vibrational investigation on the antiviral deoxyribonucleoside thymidine agent in gas and aqueous solution phases. Int. J. Quant. Chem., 114: 209-221.
CrossRef | Direct Link | - Ghalla, H., N. Issaoui, M.V. Castillo, S.A. Brandan and H.T. Flakus, 2014. A complete assignment of the vibrational spectra of 2-furoic acid based on the structures of the more stable monomer and dimer. Spectrochim. Acta Part A: Mol. Biomol. Spectrosc., 121: 623-631.
CrossRef | Direct Link | - Chain, F., E. Romano, P. Leyton, C. Paipa, C.A.N. Catalan, M.A. Fortuna and S.A. Brandan, 2014. An experimental study of the structural and vibrational properties of sesquiterpene lactone cnicin using FT-IR, FT-Raman, UV-visible and NMR spectroscopies. J. Mol. Struct., 1065-1066: 160-169.
CrossRef | Direct Link | - Cataldo, P.G., M.V. Castillo and S.A. Brandan, 2014. Quantum mechanical modeling of fluoromethylated-pyrrol derivatives a study on their reactivities, structures and vibrational properties. J. Phys. Chem. Biophys., Vol. 4. 10.4172/2161-0398.1000133.
CrossRef | Direct Link | - Castillo, M.V., A.B. Raschi, E.R. Molina, B. Tolaba, E. Romano and S.A. Brandan, 2014. A Theoretical Investigation on the Structural and Vibrational Properties of the Anticonvulsant Agent Pregabalin Using DFT Calculations. In: Advances in Quantum Systems Research, Ezziane, Z. (Ed.). Chapter 5, Nova Science Publishers Inc., USA., ISBN-13: 9781629486451, pp: 225-252.
- Brizuela, A.B., M.V. Castillo, A.B. Raschi, L. Davies, E. Romano and S.A. Brandan, 2014. A complete assignment of the vibrational spectra of sucrose in aqueous medium based on the SQM methodology and SCRF calculations. Carbohydr. Res., 388: 112-124.
CrossRef | Direct Link | - Brizuela, A.B., A.B. Raschi, M.V. Castillo, L. Davies, E. Romano and S.A. Brandan, 2014. Structural and vibrational investigation on species derived from the cyclamic acid in aqueous solution by using HATR and Raman spectroscopies and SCRF calculations. J. Mol. Struct., 1074: 144-156.
CrossRef | Direct Link | - Bichara, L.C., H.E. Lanus and S.A. Brandan, 2014. Stabilities of aqueous solutions of sucrose containing ascorbic and citric acids by using FTIR spectroscopy and physicochemical studies. J. Mol. Liquids, 200: 448-459.
CrossRef | Direct Link | - Guzzetti, K., E. Romano, A. Yurquina, S. Locatelli and S.A. Brandan, 2013. Experimental and Theoretical Investigation of L-Cysteine in Aqueous Medium: A Study Combining FTIR and Raman with Quantum Mechanical/Molecular Mechanics Methods. In: Structural Analysis and Modelling: Research and Development, Liu, Y. (Ed.). Chapter 2, Nova Science Publishers Inc., USA., ISBN-13: 978-1626186743, pp: 27-54.
- Castillo, M.V., E. Romano, G.R. Arganaraz, R.A. Rudyk and S.A. Brandan, 2013. Theoretical Structural and Vibrational Investigation on the 2-(4-Chlorophenyl)-4H-3,1-Benzoxazin-4-One Compound. In: Structural Analysis and Modelling: Research and Development, Liu, Y. (Ed.). Chapter 1, Nova Science Publishers Inc., USA., ISBN-13: 978-1626186743, pp: 1-26.
- Castillo, M.V., A.B. Raschi, E. Romano and S.A. Brandan, 2013. A Comparative Structural and Vibrational Study on the Heterosubstituted N-Thiolated Beta Lactam Antibiotics Series. In: Structural Analysis and Modelling: Research and Development, Liu, Y. (Ed.). Chapter 3, Nova Science Publishers Inc., USA., ISBN-13: 978-1626186743, pp: 55-80.