Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Znn−1On clusters for glucose sensing application: A study on theoretical and experimental insights von Gassoumi, B., Dlala, N. Aouled, Echabaane, M., Karayel, A., Özkınalı, S., Castro, M.E., Melendez, F.J., Ghalla, H., Nouar, L., Madi, F., Chaabane, R. Ben

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Corrigendum to “Green emission band induced by crystal defects in halogenated (-Br, -Cl, –F) chiral imines with a benzo[b]thiophene-based moiety “[Opt. Mater. 94 (2019) 337–347]... von Olivares, B. Anzaldo, Moreno, O. Portillo, Téllez, G. Hernández, Rosas, E. Rubio, Bustamante, F.J. Meléndez, Sánchez, M.E. Castro, Sharma, P., Pérez, R. Gutiérrez

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Green emission band induced by crystal defects in halogenated (-Br, -Cl, -F) chiral imines with a benzo[b]thiophene-based moiety von Anzaldo Olivares, B., Moreno, O. Portillo, Téllez, G. Hernández, Rosas, E. Rubio, Bustamante, F.J. Meléndez, Castro Sánchez, M.E., Sharma, P., Mendoza, A., Pérez, R. Gutiérrez

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Theoretical prediction of relative and absolute pKa values of aminopyridines von Caballero, N A, Melendez, F J, Muñoz-Caro, C, Niño, A

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Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Cali... von Gassoumi, B., Mehri, A., Hammami, H., Castro, M.E., Karayel, A., Özkınalı, S., Melendez, F.J., Nouar, L., Madi, F., Ghalla, H., Chaabane, R. Ben, Ben Ouada, H.

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Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations von Gassoumi, B., Echabaane, M., Ben Mohamed, F.E., Nouar, L., Madi, F., Karayel, A., Ghalla, H., Castro, M.E., Melendez, F.J., Özkınalı, S., Rouis, A., Ben. Chaabane, R.

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Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands:... von Gassoumi, B., Ahmed Mahmoud, A.M., Nasr, S., Karayel, A., Özkınalı, S., Castro, M.E., Melendez, F.J., Mahdouani, M., Nouar, L., Madi, F., Ghalla, H., Bourguiga, R., Ben Chaabane, R., Zhou, Y.

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Synthesis of ultramicroporous zeolitic imidazolate framework ZIF-8 via solid state method using a minimum amount of deionized water for high greenhouse gas adsorption: A computatio... von Belgacem, C.H., Missaoui, N., Khalafalla, M.A.H., Bouzid, G., Kahri, H., Bashal, A.H., Dhahri, A., Nouar, L., Melendez, F.J., Castro, M.E., Ghalla, H., Zhou, Y.

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In silico exploration of O-H…X2+ (X = Cu, Ag, Hg) interaction, targeted adsorption zone, charge density iso-surface, O-H proton analysis and topographic parameters theory for calix... von Gassoumi, B., Ben Mohamed, F.E., Castro, M.E., Melendez, F.J., Karayel, A., Nouar, L., Madi, F., Ghalla, H., Özkınalı, S., Kovalenko, V.I., Ben Chaabane, R., Ben Ouada, H.

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Structural and optical properties of ZnO nanocrystals growth by the chemical bath deposition von Chávez Portillo, M., Portillo Moreno, O., Gutiérrez Pérez, R., Araiza García, M.E., Hernández Hernández, M., Solís Sauceda, S., Meléndez Bustamante, F.J., Ramírez Gutiérrez, R.E.

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Theoretical prediction of relative and absolute p K a values of aminopyridines von Caballero, N.A., Melendez, F.J., Muñoz-Caro, C., Niño, A.

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The effects of the CO wagging coordinate relaxation on the far-infrared torsional spectrum of acetone von Meléndez, F.J., Luisa Senent, M., Smeyers, Yves G.

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Conformational population distribution of acetylcholine, nicotine and muscarine in vacuum and solution von Muñoz-Caro, C., Niño, A., Mora, M., Reyes, S., Melendez, F.J., Castro, M.E.

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Franck–Condon factors for diatomic molecules with anharmonic corrections von Meléndez, F.J., Sandoval, L., Palma, A.

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A comparative study of the scaled vibrational frequencies in the local anesthetics procaine, tetracaine and propoxycaine by means of semiempirical methods: AM1, PM3 and SAM1 von Alcolea Palafox, M., Meléndez, F.J.

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Inter-relationships between the geometrical parameters of the amino group in several para -substituted anilines von Alcolea Palafox, M., Meléndez, F.J.

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Geometry and frequencies of the halothane molecule von Meléndez, F.J., Alcolea Palafox, M.

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Electronic and structural features of lanosterol in the 14α-demethylation von Cabrera-Vivas, B.M., Pineda, Flor P., García-Hidalgo, Sandra, Meléndez, F.J., Reyes-Ortega, Y., Ramı́rez, Juan Carlos

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A comparative analysis of the QCISD(T) and the CCSD(T) potential energy surfaces for the torsional mode of glyoxal (COH–COH) von Senent, M.L, Fernández Herrera, S, Meléndez, F.J

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Ab initio calculations for elucidation of the lanosterol 14α-demethylation mechanism von Cabrera-Vivas, B.M, Meléndez, F.J, Martı́nez-Aguilera, L.M.R, Kubli-Garfias, C

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