GALVEZ, CAROLINA E.; ROCHA, MARIANA; VILLECCO, MARGARITA B.; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; LOANDOS, MARÍA DEL H.; GIL, DIEGO M.

Role of hydrogen bonds and weak non-covalent interactions in the supramolecular assembly of 9-hydroxyeucaliptol: crystal structure, Hirshfeld surface analysis, and DFT calculations

JOURNAL OF MOLECULAR MODELING - (Print); Año: 2021 vol. 27 p. 1 - 13

AHMED, MUHAMMAD NAEEM; NADEEM, KOMAL; ANDLEEB, HINA; SHEIKHI, MASOOME; MAJEED, ZAHID; SHAH, SYED WADOOD ALI; TAHIR, MUHAMMAD NAWAZ; ROCHA, MARIANA; GIL, DIEGO M.

Exploring weak intermolecular interactions in two bis-1,3,4-oxadiazoles derivatives: A combined X-ray diffraction, Hirshfeld surface analysis and theoretical studies

JOURNAL OF MOLECULAR STRUCTURE; Año: 2021 vol. 1232 p. 130030 - 130045

AHMED, MUHAMMAD NAEEM; ARIF, MUNEEBA; ANDLEEB, HINA; ALI SHAH, SYED WADOOD; ARSHAD, IFZAN; TAHIR, MUHAMMAD NAWAZ; ROCHA, MARIANA; GIL, DIEGO M.

Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies

CRYSTENGCOMM; Año: 2021 vol. 23 p. 955 - 971

ROCHA, MARIANA; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; JIOS, JORGE L.; ULIC, SONIA E.; GIL, DIEGO M.

Role of fluorine-fluorine and weak intermolecular interactions in the supramolecular network of a new trifluoromethyl-1,5-benzodiazepine: Crystal structure, Hirshfeld surface analysis and theoretical study

JOURNAL OF FLUORINE CHEMISTRY; Año: 2021 vol. 242 p. 1096997 - 1109714

ROCHA, MARIANA; ECHEVERRÍA, GUSTAVO A.; OSCAR E. PIRO; JIOS, JORGE L.; ARENA MARIO; MOLINA ROCIO; DIEGO M. GIL

Synthesis, structure, and Biological Assays of Novel Trifluorometildiazepine- Metal Complexes

AUSTRALIAN JOURNAL OF CHEMISTRY; Lugar: Collingwood; Año: 2020 vol. 73 p. 49 - 60

SAEED, AAMER; KHURSHID, ASMA; FLOERKE, ULRICH; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; GIL, DIEGO MAURICIO; ROCHA, MARIANA; FRONTERA, ANTONIO; MUMTAZ, AMARA; EL-SEEDI, HESHAM; ERBEN, MAURICIO FEDERICO FEDERICO

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

NEW JOURNAL OF CHEMISTRY; Lugar: CAMBRIDGE; Año: 2020 p. 1 - 35

ROCHA, MARIANA; PIRO, OSCAR E.; ECHEVERRÍA, GUSTAVO A.; PASTORIZA, ANA C.; SGARIGLIA, MELINA A.; SOBERÓN, JOSÉ R.; GIL, DIEGO M.

Co(II), Ni(II) and Cu(II) ternary complexes with sulfadiazine and dimethylformamide: Synthesis, spectroscopic characterization, crystallographic study and antibacterial activity

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2019 vol. 1176 p. 605 - 613

ROCHA, MARIANA; ALEJANDRO DI SANTO; AIDA BEN ALTABEF; DIEGO M. GIL

Intermolecular interactions, spectroscopic and theoretical investigation of 4-aminoacetophenone

Internationbal Journal of Advanced chemistry; Año: 2019 vol. 7 p. 1 - 12

ROCHA, MARIANA; RUIZ, MARÍA C.; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; DI VIRGILIO, ANA L.; LEÓN, IGNACIO E.; FRONTERA, ANTONIO; GIL, DIEGO M.

Diethylaminophenyl-based Schiff base Cu( ii ) and V( iv ) complexes: experimental and theoretical studies and cytotoxicity assays

NEW JOURNAL OF CHEMISTRY; Lugar: CAMBRIDGE; Año: 2019

ROCHA, MARIANA; GIL, DIEGO MAURICIO; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; JIOS, JORGE LUIS; ULIC, SONIA ELIZABETH

Enol-imino-keto-enamine tautomerism in a diazepine derivative: How decisive are the intermolecular interactions in the equilibrium?

JOURNAL OF ORGANIC CHEMISTRY; Año: 2019

ROCHA, MARIANA; GIL, DIEGO M.; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; JIOS, JORGE L.; ULIC, SONIA E.

A new perfluoromethyl aminoenone derivative and the role of the hydrogen bonding in the intra- and intermolecular interactions

JOURNAL OF FLUORINE CHEMISTRY; Año: 2018

MARIANA ROCHA; ALEJANDRO DI SANTO; OSCAR E. PIRO; G.A. ETCHEVERRÍA; F.D. CUKIERNIK; S.E. ULIC; DIEGO M. GIL

Supramolecular self-assembly of a new multi-conformational Schiff base through hydrogen bonds: Crystal structure, spectroscopic and theoretical investigation

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2016 vol. 1133 p. 24 - 36

MARIANA ROCHA; ALEJANDRO DI SANTO; JUAN MARCELO ARIAS; DIEGO M. GIL; AIDA BEN ALTABEF

Ab-initio and DFT calculations on molecular structure, NBO, HOMO-LUMO study and a new vibrational analysis of 4-(dimethylamino) benzaldehyde

SPECTROCHIMICA ACTA A: MOLECULAR AND BIOMOLECULAR SPECTROSCOPY; Lugar: Amsterdam; Año: 2015 vol. 136 p. 635 - 643