S. Brandán

发表

A complete characterization of the vibrational spectra of sucrose.

S. Locatelli, A. Brizuela, L. C. Bichara, 2012, Carbohydrate research.

NOx reduction by carbon supporting potassium-bimetallic catalysts

Á. Linares-Solano, M. Illán-Gómez, C. S. M. Lecea, 2000 .

Synthesis, structural, molecular docking and spectroscopic studies of (E)-N'-(4-methoxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide

M. Ferbinteanu, S. Radi, Y. Garcia, 2021 .

A new vibrational study of Acetazolamide compound based on normal coordinate analysis and DFT calculations

O. Oltulu, S. Brandán, E. Eroglu, 2011 .

Hydration of l-tyrosine in aqueous medium. An experimental and theoretical study by mixed quantum mechanical/molecular mechanics methods

S. Brandán, J. Zinczuk, A. Ledesma, 2011 .

Theoretical structures and experimental vibrational spectra of isomeric benzofused thieno [3,2-b] furan compounds

J. Svoboda, S. Brandán, A. Ledesma, 2010 .

DFT Calculations of the Molecular Force Field of Vanadyl Nitrate, VO(NO3)3

S. Brandán, A. Altabef, C. Socolsky, 2009 .

Structural, vibrational spectra and normal coordinate analysis for two tautomers of 4(5)-(2′-furyl)-imidazole

S. Brandán, J. Zinczuk, A. Altabef, 2009 .

Hydration of species derived from ascorbic acid in aqueous solution. An experimental and theoretical study by using DFT calculations

L. C. Bichara, S. Brandán, 2013 .

Structural and vibrational study of 2‐(2′‐ furyl)‐4,5‐1H‐dihydroimidazole

S. Brandán, J. J. López-González, O. Piro, 2009 .

Study of the vibrational spectra of (CH3)3GeCl from experimental and DFT calculations

A. Navarro, S. Brandán, M. L. Roldán, 2009 .

Experimental study of the vibrational spectra of (CH3)3GeBr supported by DFT calculations

S. Brandán, M. L. Roldán, A. Altabef, 2009 .

Improved Electrochemical Strategy to Characterize Adsorption and Corrosion Inhibition Related to Biomolecules from Plant Extracts: The Case of Annona Cherimola

C. Gervasi, P. Alvarez, S. Brandán, 2021, SSRN Electronic Journal.

Synthesis, spectroscopic and DFT studies of 5-methyl-1H-pyrazole-3-carbohydrazide N-glycoside as potential anti-diabetic and antioxidant agent

S. Brandán, K. Karrouchi, M. Faouzi, 2022, Journal of Molecular Structure.

A combined theoretical and experimental study on the structure, vibrational, and electronic properties of antiparkinsonian drug safinamide

S. Brandán, C. Catalán, A. Ledesma, 2020, SN Applied Sciences.

Structural and vibrational characterization of anhydrous and dihydrated species of trehalose based on the FTIR and FTRaman spectra and DFT calculations

S. Brandán, S. Díaz, D. Romani, 2017 .

FTIR, HATR and FT-Raman studies on the anhydrous and monohydrate species of maltose in aqueous solution.

S. Brandán, Maximiliano A. Iramain, Lilian Davies, 2016, Carbohydrate research.

Structural and vibrational investigation on species derived from the cyclamic acid in aqueous solution by using HATR and Raman spectroscopies and SCRF calculations

M. V. Castillo, A. Brizuela, E. Romano, 2014 .

A structural and vibrational investigation on the antiviral deoxyribonucleoside thymidine agent in gas and aqueous solution phases

S. Brandán, M. Márquez, 2014 .

Structural and Vibrational Investigation on a Benzoxazin Derivative with Potential Antibacterial Activity

M. V. Castillo, E. Romano, S. Brandán, 2015 .

Theoretical Study on the Structural and Vibrational Properties of Chromyl Perchlorate

S. Brandán, 2013 .

Structural and vibrational studies and molecular force field of zinc difluoromethanesulfinate

E. Romano, S. Brandán, Lilian Davies, 2013 .

Scaled Quantum Mechanical Force Fields for the CF3SX Molecules (X = H, F, Cl, Br, I)

E. Varetti, S. Brandán, A. Altabef, 2007 .

Theoretical study of the structure and vibrational spectra of VO2X2− (X=F, Cl, Br, I) anions

E. Varetti, A. Navarro, S. Brandán, 2003 .

Rollinia occidentalis extract as green corrosion inhibitor for carbon steel in HCl solution

C. Gervasi, P. Alvarez, S. Brandán, 2018 .

A combined study on structures and vibrational spectra of the antiviral rimantadine using SQMFF and DFT calculations

S. Brandán, T. Sundius, J. R. Hidalgo, 2022, Heliyon.

Structural and vibrational theoretical analysis of the vanadium oxotrihalides, VOX3 (X = F, Cl, Br, I)

E. Varetti, S. Brandán, A. Altabef, 2004 .

Deciphering non-covalent interactions of 1,3-Benzenedimethanaminium bis(trioxonitrate): Synthesis, empirical and computational study

T. Roisnel, A. Kazachenko, S. Brandán, 2021, Journal of Molecular Structure.

A crystallographic and vibrational study of cesium di-μ-aqua bis[tetraaquasodium(I)] decavanadate, Cs4[Na2(H2O)10](V10O28)

E. Varetti, S. Brandán, O. Piro, 2003 .

Structural, docking and spectroscopic studies of a new piperazine derivative, 1-Phenylpiperazine-1,4-diium bis(hydrogen sulfate)

S. Brandán, Sofian Gatfaoui, Olfa Noureddine, 2020 .

A Review on Synthesis and Spectral Properties of Quinazolines and Pyrimidines

S. Brandán, V. Arava, O. Kovalchukova, 2015 .

Structural and Vibrational Properties and NMR Characterization of (2’-furyl)-Imidazole Compounds

S. Brandán, J. Zinczuk, A. Ledesma, 2012 .

Structural and vibrational investigation of Cis–Trans isomers of potent insecticide allethrin

S. Brandán, M. Vakili, V. Darugar, 2022, Journal of Molecular Modeling.

Synthesis, molecular structure, vibrational and theoretical studies of a new non-centrosymmetric organic sulphate with promising NLO properties

T. Roisnel, S. Brandán, H. Marouani, 2018, Journal of Molecular Structure.

Structural and vibrational characterization of sugar arabinitol structures employing micro-Raman spectra and DFT calculations

L. Carpentier, S. Brandán, L. Paccou, 2017 .

S(-) and R(+) species derived from antihistaminic promethazine agent: structural and vibrational studies

S. Brandán, M. E. Manzur, 2019, Heliyon.

Evaluating structures, properties and vibrational and electronic spectra of the potassium 2-isonicotinoyltrifluoroborate salt

S. Brandán, Maximiliano A. Iramain, Lilian Davies, 2018, Journal of Molecular Structure.

Synthesis, NMR, Raman, thermal and nonlinear optical properties of dicationic ionic liquids from experimental and theoretical studies

D. Villemin, B. Haddad, M. Rahmouni, 2020, Journal of Molecular Structure.

DFT and vibrational spectroscopy study of 1-butyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid

S. Brandán, Jonas Kausteklis, V. Aleksa, 2019, Journal of Molecular Structure.

Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)

T. Roisnel, S. Brandán, F. Bardak, 2019, Journal of Molecular Structure.

Theoretical study of the infrared spectrum of 5-phenyl-1,3,4-oxadiazole-2-thiol by using DFT calculations

Roxana A. Rudyk, E. Romano, S. Brandán, 2012 .

Spectroscopic and structural investigation on intermediates species structurally associated to the tricyclic bisguanidine compound and to the toxic agent, saxitoxin

M. Yotsu-Yamashita, S. Brandán, D. Romani, 2016 .

Synthesis, thermal properties, vibrational spectra and computational studies of Trioctylmethylammonium bis(trifluoromethylsulfonyl)imide ionic liquid

D. Villemin, B. Haddad, M. Rahmouni, 2021 .

Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities

Henryk T. Flakus, Abir Sagaama, Noureddine Issaoui, 2020, Comput. Biol. Chem..

A complete assignment of the vibrational spectra of 2-furoic acid based on the structures of the more stable monomer and dimer.

M. V. Castillo, S. Brandán, H. Flakus, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical study of the structure and vibrational spectra of chromyl perchlorate, CrO2(ClO4)2

S. Brandán, 2009 .

Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate

S. Brandán, Sofian Gatfaoui, Olfa Noureddine, 2020 .

Spectroscopic studies on the potassium 1-fluorobenzoyltrifluoroborate salt by using the FT-IR, Raman and UV–Visible spectra and DFT calculations

S. Brandán, A. Ledesma, Elizabeth Imbarack, 2020 .

Structural and spectroscopic differences among the potassium 5-hydroxypentanoyltrifluoroborate salt and the furoyl and isonicotinoyl salts

S. Brandán, Maximiliano A. Iramain, Lilian Davies, 2019, Journal of Molecular Structure.

5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies

S. Brandán, N. Dege, K. Bougrin, 2021, Journal of Molecular Structure.

Structural and Vibrational Study on Chromyl Acetate in Different Media

S. Brandán, 2013 .

Structural and Vibrational Study of Chromyl Nitrate

S. Brandán, A. Altabef, 2013 .

Theoretical structural and experimental vibrational study of niobyl nitrate

M. V. Castillo, E. Romano, S. Brandán, 2011 .

DFT calculation of the chromyl nitrate, CrO2(NO3)2 The molecular force field.

S. Brandán, M. L. Roldán, A. Ben Altabef, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational and electronic spectra of vanadyl nitrate, VO(NO3)3

E. Varetti, S. Brandán, A. Altabef, 1995 .

Electronic and Fourier transform infrared and Raman spectra of chromyl nitrate, Cr02(N03) 2

E. Varetti, S. Brandán, A. Altabef, 1993 .

Structural and Vibrational Study of Chromyl Fluorosulfate

S. Brandán, A. Altabef, 2013 .

A new vibrational study of chromyl fluorosulfate, CrO2(SO3F)2 by DFT calculations

S. Brandán, A. Altabef, 2010 .

Synthesis and spectral properties of mixed binuclear complexes derived from the ion pentacyano(4,4′-bipyridine)ferrate(II)

S. Brandán, A. Altabef, N. Katz, 1986 .

Synthesis and spectral properties of a new binuclear iron complex: the ion tetracyano(4-cyanopyridine)ferrate(II)-μ-cyano-pentacyanoferrate(II)

S. Brandán, A. Altabef, N. Katz, 1985 .

Structural study and characterization of the dipeptide 2-[[5-amino-5-oxo-2-(phenylmethoxycarbonylamino) pentanoyl] amino] acetic acid by vibrational spectroscopy and DFT calculations

M. V. Castillo, P. Leyton, S. Brandán, 2013 .

Synthesis and structural and vibrational analysis of (5,7-dichloro-quinolin-8-yloxy) acetic acid

M. V. Castillo, E. Romano, S. Brandán, 2012 .

Structural analysis, vibrational spectra and coordinated normal of 2R-(-)-6-hydroxytremetone.

E. Romano, S. Brandán, A. Raschi, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical and experimental vibrational spectrum study of 4-hydroxybenzoic acid as monomer and dimer.

S. Brandán, M. Montejo, J. J. López González, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Hydration of inorganic phosphates in crystal lattices and in aqueous solution. An experimental and theoretical study.

E. Disalvo, S. Brandán, S. Díaz, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Experimental and theoretical study of the hydration of phosphate groups in esters of biological interest.

E. Disalvo, S. Brandán, S. Díaz, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structure and absolute configuration of parodiolide, a new dimeric sesquiterpene lactone isolated from Mikania parodii Cabrera possessing an uncommon spiro connexion

S. Brandán, C. Catalán, V. Sülsen, 2021, Journal of Molecular Structure.

Synthesis, molecular structure, and properties of DABCO bromide based ionic liquid combining spectroscopic studies with DFT calculations

D. Villemin, B. Haddad, M. Rahmouni, 2021, Journal of Molecular Structure.

Properties and Molecular docking of Antiviral to COVID-19 Chloroquine combining DFT calculations with SQMFF approach

E. Romano, S. Brandán, Noureddine ISSAOUI, 2020 .

Synthesis, X-ray structure, vibrational spectroscopy, DFT, biological evaluation and molecular docking studies of (E)-N’-(4-(dimethylamino)benzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide

M. Ferbinteanu, S. Radi, Y. Garcia, 2020 .

Synthesis, crystal structure, spectroscopic studies, NBO, AIM and SQMFF calculations of new pyridazinone derivative

N. Benchat, S. Brandán, N. Dege, 2021, Journal of Molecular Structure.

Structural, FT-IR, FT-Raman and ECD studies on the free base, cationic and hydrobromide species of scopolamine alkaloid

Roxana A. Rudyk, S. Brandán, C. Catalán, 2019, Journal of Molecular Structure.

Stabilities of aqueous solutions of sucrose containing ascorbic and citric acids by using FTIR spectroscopy and physicochemical studies

L. C. Bichara, S. Brandán, H. E. Lanús, 2014 .

An experimental and theoretical study of L-Tryptophan in an aqueous solution, combining two-layered ONIOM and SCRF calculations.

M. V. Castillo, P. Leyton, S. Brandán, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Evaluation of the structural, electronic, topological and vibrational properties of N-(3,4-dimethoxybenzyl)-hexadecanamide isolated from Maca (Lepidium meyenii) using different spectroscopic techniques

S. Brandán, C. Catalán, A. Grau, 2017 .

Structural, electronic, topological and vibrational properties of a series of N-benzylamides derived from Maca (Lepidium meyenii) combining spectroscopic studies with ONION calculations

S. Brandán, C. Catalán, A. Grau, 2016 .

Vibrational Study and Force Field of the Citric Acid Dimer Based on the SQM Methodology

E. G. Ferrer, L. C. Bichara, S. Brandán, 2011 .

A complete assignment of the vibrational spectra of sucrose in aqueous medium based on the SQM methodology and SCRF calculations.

M. V. Castillo, A. Brizuela, E. Romano, 2014, Carbohydrate research.

Theoretical structural and vibrational properties of the artificial sweetener sucralose

M. V. Castillo, P. Leyton, A. Brizuela, 2013 .

Experimental and theoretical vibrational investigation on the saccharinate ion in aqueous solution.

S. Locatelli, A. Brizuela, E. Romano, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Density functional theory calculations of the molecular force field of L-ascorbic acid, vitamin C.

L. C. Bichara, S. Brandán, H. E. Lanús, 2010, The journal of physical chemistry. A.

Spectroscopic and Structural Study of the Antiviral Idoxuridine Agent by Using DFT and SCRF Calculations

S. Brandán, D. Romani, 2017 .

A structural and vibrational study on the first condensed borosulfate K5[B(SO4)4] by using the FTIR–Raman spectra and DFT calculations

H. Höppe, E. Romano, S. Brandán, 2013 .

Electronic Structure of Tin Passive Films and Its Influence on the Corrosion of the Base Metal

C. Gervasi, P. Alvarez, S. Brandán, 2013 .

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)

E. Dellacassa, S. Brandán, C. Catalán, 2019, Journal of Molecular Structure.

Structural properties and FTIR-Raman spectra of the anti-hypertensive clonidine hydrochloride agent and their dimeric species

E. Romano, S. Brandán, Lilian Davies, 2017 .

Influence of atomic bonds on the properties of the laxative drug sodium picosulphate

S. Brandán, D. Romani, I. Tonello, 2016, Heliyon.

Structural and spectroscopic study of a pectin isolated from citrus peel by using FTIR and FT-Raman spectra and DFT calculations

C. Gervasi, L. C. Bichara, S. Brandán, 2016 .

Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking

S. Brandán, Noureddine ISSAOUI, Abir Sagaama, 2020, Heliyon.

Structural and vibrational study of 2-(2′-furyl)-1H-imidazole

S. Brandán, O. Piro, J. Zinczuk, 2008 .

Synthesis and vibrational analysis of N‐(2′‐Furyl)‐Imidazole

S. Brandán, J. Zinczuk, A. Altabef, 2009 .

Spectroscopic and structural studies on lactose species in aqueous solution combining the HATR and Raman spectra with SCRF calculations.

A. Brizuela, S. Brandán, M. J. Márquez, 2015, Carbohydrate research.

Effect of the side chain on the properties from cidofovir to brincidofovir, an experimental antiviral drug against to Ebola virus disease

S. Brandán, D. Romani, 2015 .

Theoretical and experimental study of the vibrational spectra of 1,5-dimethylcytosine

J. García-Ramos, J. C. Otero, S. Brandán, 2008 .

Structural and Vibrational Properties of Chromyl Azide

S. Brandán, 2013 .

Structural and vibrational analyses of 2-(2-benzofuranyl)-2-imidazoline

S. Brandán, M. Montejo, J. Zinczuk, 2011 .

Structural and vibrational study of 4-(2′-furyl)-1-methylimidazole

S. Brandán, J. Zinczuk, A. Altabef, 2009 .

FT-IR, FT-Raman, UV-visible, and NMR spectroscopy and vibrational properties of the labdane-type diterpene 13-epi-sclareol.

P. Leyton, S. Brandán, C. Paipa, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

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.

M. V. Castillo, S. Brandán, J. Zinczuk, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural and vibrational study on zwitterions of l-threonine in aqueous phase using the FT-Raman and SCRF calculations

A. Brizuela, E. Romano, S. Brandán, 2013 .

A new experimental and theoretical investigation on the structures of aminoethyl phosphonic acid in aqueous medium based on the vibrational spectra and DFT calculations

M. V. Castillo, E. Romano, S. Brandán, 2013 .

Structural and vibrational studies of the potential anticancer agent, 5-difluoromethyl-1,3,4-thiadiazole-2-amino by DFT calculations

E. Romano, S. Brandán, María Florencia Ladetto, 2013 .

Synthesis, Structural Study and Spectroscopic Characterization of a Quinolin-8-Yloxy Derivative with Potential Biological Properties

M. V. Castillo, E. Romano, S. Brandán, 2013 .

Molecular structure of 4-hidroxy-3-(3-methyl-2-butenyl) acetophenone, a plant antifungal, by X-ray diffraction, DFT calculation, and NMR and FTIR spectroscopy.

E. Romano, S. Brandán, C. Catalán, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural study, coordinated normal analysis and vibrational spectra of 4-hydroxy-3-(3-methyl-2-butenyl)acetophenone.

Roxana A. Rudyk, E. Romano, S. Brandán, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Evidences of the formation of a tin(IV) complex in citric–citrate buffer solution: A study based on voltammetric, FTIR and ab initio calculations

C. Gervasi, P. Alvarez, L. C. Bichara, 2012 .

Vibrational and structural study of onopordopicrin based on the FTIR spectrum and DFT calculations.

P. Leyton, E. Romano, S. Brandán, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis and characterization of p-xylylenediaminium bis(nitrate). Effects of the coordination modes of nitrate groups on their structural and vibrational properties

T. Roisnel, S. Brandán, Sofian Gatfaoui, 2018 .

Behaviours of antiviral Oseltamivir in different media: DFT and SQMFF calculations

E. Romano, S. Brandán, M. Vakili, 2021, Journal of Molecular Modeling.

Effect of cation-anion interactions on the structural and vibrational properties of 1-buthyl-3-methyl imidazolium nitrate ionic liquid

S. Brandán, Jonas Kausteklis, V. Aleksa, 2018, Journal of Molecular Structure.

A structural and vibrational study of dehydrofukinone combining FTIR, FTRaman, UV–visible and NMR spectroscopies with DFT calculations

P. Leyton, E. Romano, S. Brandán, 2013 .

Investigating the behaviors of corticosterone hormone in different solvents by using DFT calculations and experimental data

S. Brandán, D. Romani, 2019 .

Theoretical DFT Studies on Free Base, Cationic and Hydrochloride Species of Narcotic Tramadol Agent in Gas Phase and Aqueous Solution

S. Brandán, J. R. Hidalgo, 2021 .

A Comparative Study on the Structural and Vibrational Properties of Two Potential Antimicrobial and Anticancer Cyanopyridine Derivatives

S. Brandán, M. J. Márquez, M. Márquez, 2015 .

Bidentate cation-anion coordination in the ionic liquid 1-ethyl-3-methylimidazolium hexafluorophosphate supported by vibrational spectra and NBO, AIM and SQMFF calculations

D. Villemin, B. Haddad, A. Paolone, 2020 .

Improvements in NOx reduction by carbon using bimetallic catalysts

Á. Linares-Solano, M. Illán-Gómez, C. S. M. Lecea, 2001 .

An experimental and theoretical study on the hydration in aqueous medium of the antihypertensive agent tolazoline hydrochloride

A. Brizuela, E. Romano, S. Brandán, 2013 .

Vibrational study of tolazoline hydrochloride by using FTIR-Raman and DFT calculations.

S. Brandán, J. Zinczuk, A. Ledesma, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

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

M. V. Castillo, Roxana A. Rudyk, S. Brandán, 2017 .

Combined experimental studies and theoretical calculations to yield the complete molecular structure and vibrational spectra of (CH3)3GeH.

H. Robertson, D. Wann, D. Rankin, 2009, The journal of physical chemistry. A.

Experimental and DFT studies on structure, spectroscopic and thermal properties of N-Methyl-N,N,N-trioctylammonium chloride ionic liquid

D. Villemin, B. Haddad, M. Rahmouni, 2020, Journal of Molecular Structure.

Vibrational characterization of monomers and dimers of cellulose by using DFT calculations and the SQM methodology

Sift Desk Journals Open Access Journals, S. Brandán, 2017 .

Experimental FTIR and FT-Raman and theoretical studies on the molecular structures of monomer and dimer of 3-thiopheneacrylic acid

S. Brandán, H. Flakus, H. Ghalla, 2017 .

Physicochemical properties of the antihypertensive agent 2-benzylimidazoline in aqueous and physiological solutions at 25 and 37 °C

M. V. Castillo, E. Romano, S. Brandán, 2014 .

Structural, topological and vibrational properties of an isothiazole derivatives series with antiviral activities

S. Brandán, D. Romani, M. J. Márquez, 2015 .

Evaluation of the structural properties of powerful pesticide dieldrin in different media and their complete vibrational assignment

M. V. Castillo, S. Brandán, Lilian Davies, 2018 .

Properties and Reactivities of Niclosamide in Different Media, a Potential Antiviral to Treatment of COVID-19 by Using DFT Calculations and Molecular Docking

S. Brandán, D. Romani, Olfa Noureddine, 2020, Biointerface Research in Applied Chemistry.

Predicting Properties and Reactivities of the β-Lactamase Inhibitors Clavulanic Acid, Potassium Clavulanate Salt and its Anion

S. Brandán, 2019 .

Synthesis, spectroscopic characterization and structural study of 2-isopropenyl-3-methylphenol, carquejiphenol, a carquejol derivative with potential medicinal use

E. Dellacassa, S. Brandán, C. Catalán, 2018, Journal of Molecular Structure.

Structural and SQMFF study of potent insecticide 4′,4′-DDT combining the FT-IR and FT-Raman spectra with DFT calculations

M. V. Castillo, S. Brandán, Maximiliano A. Iramain, 2020 .

Structural study and vibrational assignments of FT-IR and FT-Raman spectra of powerful pesticide 2,4’-DDT. Its comparison with 4,4’-DDT

M. V. Castillo, S. Brandán, Maximiliano A. Iramain, 2021 .

FT-IR, FT-Raman and UV-visible spectra of motrilin acetogenin isolated from Annona cherimolia

P. Alvarez, S. Brandán, A. Neske, 2019, Journal of Molecular Structure.

Structural properties and vibrational analysis of Potassium 5-Br-2-isonicotinoyltrifluoroborate salt. Effect of Br on the isonicotinoyl ring

S. Brandán, A. Ledesma, Maximiliano A. Iramain, 2019, Journal of Molecular Structure.

Effect of Media on the Properties of Monoterpene Cyclic Eucalyptol

S. Brandán, J. R. Hidalgo, M. A. Iramain, 2019 .

Structural And Vibrational Studies on Isomers of Antiviral Ribavirin Drug in Gas and Aqueous Environmental by Using The SQM Approach

S. Brandán, D. Romani, M. J. Márquez, 2019, JOURNAL OF ADVANCES IN CHEMISTRY.

Structural and vibrational properties of three species of anti-histaminic diphenhydramine by using DFT calculations and the SQM approach

S. Brandán, 2018 .

Vibrational assignments of two polymorphic forms of metaxolone by using DFT calculations and the SQM methodology

S. Brandán, A. Ledesma, M. J. Márquez, 2018 .

FTIR, FTRaman, UV–Visible and NMR spectroscopic studies on 3,3′,4,4′-tetrachloroazoxybenzene, an azoxybenzene derivative with toxic effects

M. V. Castillo, S. Brandán, J. Zinczuk, 2017 .

Structures, Reactivities and Vibrational Study of Species Derived from the Adrenergic Α2 Receptor Agonist Guanfacine Agent

S. Brandán, D. Romani, J. R. Hidalgo, 2019 .

Structural and FT-IR studies of phenolic 2,8-dihydroxy-7H-furo [2,3- f]chromen-7-one derivative isolated from Tibouchina paratropica

E. Romano, S. Brandán, M. Tracanna, 2019 .

Structural and vibrational studies of equilenin, equilin and estrone steroids

S. Brandán, 2019, Biointerface Research in Applied Chemistry.

Structural and spectroscopic studies of two 1,3-benzothiazole tautomers with potential antimicrobial activity in different media. Prediction of their reactivities

S. Brandán, D. Romani, 2015 .

An experimental study of the structural and vibrational properties of sesquiterpene lactone cnicin using FT-IR, FT-Raman, UV–visible and NMR spectroscopies

P. Leyton, E. Romano, S. Brandán, 2014 .

Experimental and DFT studies on 2′,4′-dihydroxychalcone, a product isolated from Zuccagnia punctata Cav. (Fabaceae) medicinal plant

P. Alvarez, M. Isla, S. Brandán, 2020 .

Synthesis, crystal structure, spectroscopic, antidiabetic, antioxidant and computational investigations of Ethyl 5-hydroxy-1-isonicotinoyl-3-methyl-4,5-dihydro-1H-pyrazole-5-carboxylate

H. Benzeid, S. Brandán, M. E. Karbane, 2021, Journal of Molecular Structure.

Crystal structure, computational study, optical and vibrational properties of a new luminescent material based on bismuth(III): (C10H28N4)[Bi2Cl10]

S. Brandán, P. Guionneau, Z. Ouerghi, 2021 .

Normal internal coordinates, force fields, and vibrational study of species derived from antiviral adamantadine

S. Brandán, 2020, International Journal of Quantum Chemistry.

A Structural and Vibrational Study of the Chromyl Chlorosulfate, Fluorosulfate, and Nitrate Compounds

S. Brandán, 2012 .

Experimental and Theoretical Vibrational Study of the Oxotetrachlorochromate(V) Anion in [AsPh4][CrOCl4]

E. Varetti, S. Brandán, M. L. Roldán, 2006 .

Synthesis, crystal structure, Hirshfeld surface analysis, DFT and antihyperglycemic activity of 9-allyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one

S. Tighadouini, R. Saddik, S. Brandán, 2023, Journal of Molecular Structure.

Impact of Different Groups on Properties of All Members of the Series of 1-X-Benzotriazole Derivatives (X= H, OH, NH2, Cl and CH3)

S. Brandán, M. Vakili, Maximiliano A. Iramain, 2023, European Journal of Theoretical and Applied Sciences.

Characterization of potassium (2-phenylacetyl) trifluoroborate salt by using the UV–Visible, FT-IR and FT-Raman spectra

S. Brandán, Elizabeth Imbarack, Maximiliano A. Iramain, 2020 .

Exploring properties of potassium 6-X-2-isonicotinoyltrifluoroborate (X=H, F, Cl, Br) salts and their anions by using ab initio calculations

S. Brandán, Maximiliano A. Iramain, 2019, Journal of Molecular Modeling.

Electronic transport on the two state "ON-OFF" of 1,3,3-trimethylindolino-6'-nitrobenzopyrylospiran as a light-driven molecular optical switch: A first-principle study.

S. Brandán, M. Vakili, V. Darugar, 2023, Journal of molecular graphics & modelling.

Synthesis, X-ray, spectroscopy, molecular docking and DFT calculations of (E)-N'-(2,4-dichlorobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide

Mubashir Hassan, M. Ferbinteanu, S. Radi, 2020 .

A structural and spectroscopic study on carquejol, a relevant constituent of the medicinal plant Baccharis trimera (Less.) DC. (Asteraceae)

E. Dellacassa, S. Brandán, C. Catalán, 2017 .

A quinoline-benzotriazole derivative: Synthesis, crystal structure and characterization by using spectroscopic, DFT and molecular docking methods

S. Brandán, N. Dege, K. Bougrin, 2023, Results in Chemistry.

Theoretical Structural and Vibrational DFT Calculations of Chromyl Thiocyanate

S. Brandán, 2013 .

Synthesis, X-Ray, Spectral Characterization, DFT, and Molecular Docking Calculations of 2-(5-Nitro-1- H -Indazol-1-yl) Acetic Acid

J. Mague, E. Essassi, S. Brandán, 2023, Polycyclic Aromatic Compounds.

2-(allylthio)-5-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole: Synthesis, Single crystal XRD, spectroscopic characterization, Antidiabetic activity, DFT and ADMET studies

J. Mague, S. Brandán, Y. Ramli, 2023, Journal of Molecular Structure.

Vibrational study of caffeic acid phenethyl ester, a potential anticancer agent, by infrared, Raman, and NMR spectroscopy

M. V. Castillo, P. Leyton, E. Romano, 2014 .

Analysis of the dielectric, volumetric and association properties of L-Methionine in aqueous solution

M. Molina, S. Brandán, L. M. Córdoba, 1991 .

Theoretical study on the structure, spectroscopic, and current–voltage behavior of 11-Cis and Trans retinal isomers in rhodopsin

S. Brandán, Ayoub Kanaani, V. Darugar, 2024, Scientific reports.

Investigating the role of water molecules and its impact on the properties of hydrated vasodilator and anti-asthmatic theophylline agent

S. Brandán, D. Romani, 2024, Computational and Theoretical Chemistry.

Pyridazine derivative as potent antihyperglycemic agent: Synthesis, crystal structure, α-amylase and α-glucosidase inhibition and computational studies

S. Brandán, K. Karrouchi, M. Faouzi, 2024, Journal of Molecular Structure.

Structural and vibrational characterization of di-hydrated hydrochloride tacrine combining DFT with SQMFF approach

S. Brandán, T. Sundius, 2023, Heliyon.