1D-Coordination Polymer of Copper(I) thiocyanate complex with metronidazole: Synthesis, crystal structure, Hirshfeld surface analysis, PXRD, Spectroscopic properties, MEP, QTAIM, π(CN)···tetrel interaction, RDG, and thermal analysis
Ajibola, Abiodun A., Cubillán, Néstor, Wojciechowska, Agnieszka, Sieroń, Lesław, Maniukiewicz, Waldemar
Published in Journal of molecular structure (05.11.2024)
Published in Journal of molecular structure (05.11.2024)
Get full text
Journal Article
Polymorphs of 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid (Diclofenac): Differences from crystallography, Hirshfeld surface, QTAIM and NCIPlots
Morales-Toyo, Miguel, Kansız, Sevgi, Dege, Necmi, Glidewell, Christopher, Fuenmayor-Zafra, Ana, Cubillán, Néstor
Published in Chemical physics (01.04.2021)
Published in Chemical physics (01.04.2021)
Get full text
Journal Article
A combined experimental, Hirshfeld surface analysis, and theoretical study on fac-[tri(azido)(tris(2-pyridyl)amine)iron(III)]
Setifi, Zouaoui, Cubillán, Néstor, Glidewell, Christopher, Gil, Diego M., Torabi, Elham, Morales-Toyo, Miguel, Dege, Necmi, Setifi, Fatima, Mirzaei, Masoud
Published in Polyhedron (15.03.2023)
Published in Polyhedron (15.03.2023)
Get full text
Journal Article
Analysis of supramolecular interactions directing crystal packing of a trans,trans,trans-[diaquabis(4-quinolin-3-yl)-4H-1,2,4-triazole)bis(tricyanomethanide)iron(II)] complex: A combination of XRD, MEP, NBO, QTAIM, and NCI analyses
Setifi, Zouaoui, Cubillán, Néstor, Glidewell, Christopher, Nayak, Susanta K., Morales-Toyo, Miguel, Khajavian, Ruhollah, Setifi, Fatima, Mirzaei, Masoud
Published in Journal of molecular structure (15.03.2021)
Published in Journal of molecular structure (15.03.2021)
Get full text
Journal Article
Synthesis, crystal structure, and non-covalent interactions in 4-hydrazinobenzoic acid hydrochloride
Morales-Toyo, Miguel, Cubillán, Néstor, Glidewell, Christopher, Seijas, Luis, Boscan-Melean, Katerin, Restrepo, Jelen
Published in Journal of molecular structure (05.02.2020)
Published in Journal of molecular structure (05.02.2020)
Get full text
Journal Article
Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride
Restrepo, Jelem, Glidewell, Christopher, Cubillán, Néstor, Alvarado, Ysaias, Dege, Necmi, Morales-Toyo, Miguel
Published in Journal of molecular structure (05.02.2019)
Published in Journal of molecular structure (05.02.2019)
Get full text
Journal Article
Synthesis of (E)-Ethyl-4-(2-(furan-2-ylmethylene)hydrazinyl)benzoate, crystal structure, and studies of its interactions with human serum albumin by spectroscopic fluorescence and molecular docking methods
Morales-Toyo, Miguel, Glidewell, Christopher, Bruno-Colmenares, Julia, Cubillán, Néstor, Sánchez-Colls, Ronald, Alvarado, Ysaias, Restrepo, Jelen
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.06.2019)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.06.2019)
Get full text
Journal Article
Enhanced Tetracycline Removal from Highly Concentrated Aqueous Media by Lipid-Free Chlorella sp. Biomass
Suárez-Martínez, Dayra, Angulo-Mercado, Edgardo, Mercado-Martínez, Ivan, Vacca-Jimeno, Victor, Tapia-Larios, Claudia, Cubillán, Néstor
Published in ACS omega (26.04.2022)
Published in ACS omega (26.04.2022)
Get full text
Journal Article
Sequential spectral changes of Meloidogyne enterolobii-infected plants using two dimensional correlation IR spectroscopy
Guerra, Mayamarú, Paba, Gabriel, Cubillán, Néstor, Portillo, Edgar, Casassa-Padrón, Ana M, Aballay, Erwin, San-Blas, Ernesto
Published in Nematology : international journal of fundamental and applied nematological research (01.05.2021)
Published in Nematology : international journal of fundamental and applied nematological research (01.05.2021)
Get full text
Journal Article
The use of infrared spectroscopy and machine learning tools for detection of Meloidogyne infestations
San‐Blas, Ernesto, Paba, Gabriel, Cubillán, Néstor, Portillo, Edgar, Casassa‐Padrón, Ana M., González‐González, César, Guerra, Mayamarú
Published in Plant pathology (01.10.2020)
Published in Plant pathology (01.10.2020)
Get full text
Journal Article
Novel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes
Marrero-Ponce, Yovani, Contreras-Torres, Ernesto, García-Jacas, César R, Barigye, Stephen J, Cubillán, Néstor, Alvarado, Ysaías J
Published in Journal of theoretical biology (07.06.2015)
Published in Journal of theoretical biology (07.06.2015)
Get full text
Journal Article
Interaction of Ciprofloxacin with Arabinose, Glucosamine, Glucuronic Acid and Rhamnose: Insights from Genetic Algorithm and Quantum Chemistry
Coba‐Jiménez, Ludis, Maza, Julio, Guerra, Mayamarú, Deluque‐Gómez, Julio, Cubillán, Néstor
Published in ChemistrySelect (Weinheim) (17.01.2022)
Published in ChemistrySelect (Weinheim) (17.01.2022)
Get full text
Journal Article
Characterization of Xenorhabdus and Photorhabdus bacteria by Fourier transform mid-infrared spectroscopy with attenuated total reflection (FT-IR/ATR)
San-Blas, Ernesto, Cubillán, Néstor, Guerra, Mayamarú, Portillo, Edgar, Esteves, Iván
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.07.2012)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.07.2012)
Get full text
Journal Article
Preferential solvation of thiophene and furan-2-carboxaldehyde phenylhydrazone derivatives in DMSO–water and DMSO–n-octanol mixtures
Alvarado, Ysaías J., Ballestas-Barrientos, Alfonso, Cubillán, Néstor, Morales-Toyo, Miguel, Restrepo, Jelem, Ferrer-Amado, Gladys
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.02.2013)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.02.2013)
Get full text
Journal Article
Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applications
Cubillán, Néstor, Marrero-Ponce, Yovani, Ariza-Rico, Harold, Barigye, Stephen J., García-Jacas, César R., Valdes-Martini, José R., Alvarado, Ysaías J.
Published in Journal of mathematical chemistry (01.10.2015)
Published in Journal of mathematical chemistry (01.10.2015)
Get full text
Journal Article
Volume-related properties of thiophene and furan-2-carboxaldehyde phenylhydrazone derivatives in DMSO: A discussion about non-intrinsic contribution
Alvarado, Ysaías J., Ballestas-Barrientos, Alfonso, Restrepo, Jelem, Vera-Villalobos, Joan, Ferrer-Amado, Gladys, Rodríguez-Lugo, Patricia, Ferrebuz, Atilio, Infante, Miguel, Cubillán, Néstor
Published in The Journal of chemical thermodynamics (01.06.2015)
Published in The Journal of chemical thermodynamics (01.06.2015)
Get full text
Journal Article