Frontera, Antonio

PRODUCCION CIENTÍFICO TECNOLÓGICA

Mostrando ítems 1-18 de 18

Artículo A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations

Pérez Pérez, Hiram; Di Santo, Alfredo Alejandro ; Piro, Oscar Enrique ; Echeverría, Gustavo Alberto ; Cano, Arely; González, Miguel; Rodríguez Hernández, José; Ben Altabef, Aida ; Frontera, Antonio; Gil, Diego Mauricio (Royal Society of Chemistry, 2021-02)
Artículo Antiparallel π···π and C−H···H−C contacts in a novel Zn(II) coordination solid involving π-hole tetrel bonding interactions: a combined experimental and theoretical study, hirshfeld surface analysis, molecular docking and potential drug property

Nashre ul Islam, Swah Mohd; Borah, Kamala Kanta; Öztürkkan, Füreya Elif; Raza, Muhammad Asam; Frontera, Antonio; Gil, Diego Mauricio (Elsevier Science, 2022-11)
Artículo Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions

Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego Mauricio ; Frontera, Antonio (Royal Society of Chemistry, 2021-03)
Artículo Exploration of Br···O halogen bonding interactions in dinuclear vanadium(V) complexes with schiff base ligands

Thakur, Snehasish; Gil, Diego Mauricio ; Frontera, Antonio; Chattopadhyay, Shouvik (Pergamon-Elsevier Science Ltd, 2020-09)
Artículo Intermolecular interactions in antipyrine-like derivatives 2-halo-: N -(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1 H -pyrazol-4-yl)benzamides: X-ray structure, Hirshfeld surface analysis and DFT calculations

Saeed, Aamer; Khurshid, Asma; Flöerke, Ulrich; Echeverría, Gustavo Alberto ; Piro, Oscar Enrique ; Gil, Diego Mauricio ; Rocha, Mariana ; Frontera, Antonio; El-Seedi, Hesham R.; Mumtaz, Amara; Erben, Mauricio Federico (Royal Society of Chemistry, 2020-12)
Artículo Intramolecular sp2-sp3 disequalization of chemically identical sulfonamide nitrogen atoms: single crystal X-Ray diffraction characterization, hirshfeld surface analysis and DFT calculations of N-substituted hexahydro-1,3,5-triazines

Kletskov, Alexey V.; Gil, Diego Mauricio ; Frontera, Antonio; Zaytsev, Vladimir P.; Merkulova, Natalia L.; Beltsova, Ksenia R.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Grudova, Mariya V.; Zubkov, Fedor I. (MDPI, 2020-05)
Artículo Novel 'main-part' isostructuralism in metal complexes with 1-methylimidazole: Crystal structures, energy calculations and magnetic properties

Hiram Perez; Di Santo, Alfredo Alejandro ; Piro, Oscar Enrique ; Echeverría, Gustavo A.; Gonzalez, Marlene; Ben Altabef, Aida ; Golima,Rosa; Frontera, Antonio; Gil, Diego Mauricio (Royal Society of Chemistry, 2021-12)
Artículo On the importance of π-stacking interactions in the complexes of copper and zinc bearing pyridine-2,6-dicarboxylic acid N -oxide and N-donor auxiliary ligands

Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Momenzadeh, Elham; Mague, Joel T.; Gil, Diego Mauricio ; Gomila, Rosa M.; Frontera, Antonio (Royal Society of Chemistry, 2022-10)
Artículo Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group

Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail; Zaytsev, Vladimir P.; Gil, Diego Mauricio ; Novikov, Roman A.; Zubkov, Fedor Ivanovich; Frontera, Antonio (Royal Society of Chemistry, 2020-11)
Artículo Recurrent π-π stacking motifs in three new 4,5-dihydropyrazolyl-thiazole-coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations

Madni, Murtaza; Ahmed, Muhammad Naeem; Hafeez, Muhammad; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego Mauricio ; Galmés, Bartomeu; Hameed, Shahid; Frontera, Antonio (Royal Society of Chemistry, 2020-09)
Artículo Relevant p-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations

Ahmed, Muhammad Naeem; Yasin, Khawaja Ansar; Aziz, Shahid; Khan, Saba Urooge; Tahir, Muhammad Nawaz; Gil, Diego Mauricio ; Frontera, Antonio (Royal Society of Chemistry, 2020-06)
Artículo Role of imidazole co–ligand in the supramolecular network of a Co(II) complex with sulfadiazine: crystal structure, hirshfeld surface analysis and energetic calculations

Gil, Diego Mauricio ; Pérez Pérez, Hiram; Echeverría, Gustavo Alberto ; Piro, Oscar Enrique ; Frontera, Antonio (Wiley Blackwell Publishing, Inc, 2020-06)
Artículo Supramolecular Assemblies in Pyridine- and Pyrazole-Based Coordination Compounds of Co(II) and Ni(II): Characterization, Hirshfeld Analysis and Theoretical Studies

Baishya, Trishnajyoti; Gomila, Rosa M.; BarceloOliver, Miquel; Gil, Diego Mauricio ; Bhattacharyya, Manjit K.; Frontera, Antonio (MDPI, 2023-02)
Artículo Supramolecular, spectroscopic and computational analysis of weak interactions in some thiosemicarbazones derived from 5-acetylbarbituric acid

Castiñeiras, Alfonso; Fernández Hermida, Nuria; García Santos, Isabel; Gómez Rodríguez, Lourdes; Gil, Diego Mauricio ; Frontera, Antonio (Elsevier Science, 2021-12)
Artículo Synthesis and X‐ray characterization of 4,5‐dihydropyrazolyl‐thiazoles bearing a coumarin moiety: on the importance of antiparallel π‐stacking

Madni, Murtaza; Ahmed, Muhammad Naeem; Abbasi, Ghazala; Hameed, Shahid; Ibrahim, Mahmoud A. A.; Tahir, Muhammad N.; Ashfaq, Muhammad; Gil, Diego Mauricio ; Gomila, Rosa M.; Frontera, Antonio (Wiley-VCH, 2022-09)
Artículo Synthesis, X-ray characterization and theoretical study of 3 a ,6:7,9 a-diepoxybenzo [de] isoquinoline derivatives: on the importance of F⋯O interactions

Grudova, Mariya V.; Gil, Diego Mauricio ; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I. (Royal Society of Chemistry, 2020-12-27)
Artículo Weak interactions in cocrystals of isoniazid with glycolic and mandelic acids

Álvarez-Vidaurre, Raquel; Castiñeiras, Alfonso; Frontera, Antonio; García Santos, Isabel; Gil, Diego Mauricio ; González Pérez, Josefa M.; Niclós Gutiérrez, Juan; Torres Iglesias, Rocío (MDPI AG, 2021-03)
Artículo X-ray characterization, Hirshfeld surface analysis, DFT calculations,in vitroandin silicolipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones

Ahmed, Muhammad Naeem; Ghias, Mehreen; Shah, Syed Wadood Ali; Shoaib, Mohammad; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ibrahim, Mahmoud A. A.; Andleeb, Hina; Gil, Diego Mauricio ; Frontera, Antonio (Royal Society of Chemistry, 2021-09)

Mostrando ítems 1-18 de 18