Diego M. Gil

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

Mariana Rocha, Alejandro Di Santo, Juan Marcelo Arias et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 99 citations · Full text

Recurrent π–π stacking motifs in three new 4,5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations

Murtaza Madni, Muhammad Naeem Ahmed, Muhammad Hafeez et al. · New Journal of Chemistry · 2020 · 67 citations · Full text

Hirshfeld Surface Analysis, Engineering, Recurrent π–π +12

Quantum chemical studies on molecular structure, spectroscopic (IR, Raman, UV–Vis), NBO and Homo–Lumo analysis of 1-benzyl-3-(2-furoyl) thiourea

Diego M. Gil, M.E. Defonsi Lestard, O. Estévez-Hernández et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 60 citations · Full text

Molecular Spectroscopy, Quantum Chemical Studies, Biochemistry +8

Structural, vibrational and electronic characterization of 1-benzyl-3-furoyl-1-phenylthiourea: an experimental and theoretical study

M.E. Defonsi Lestard, Diego M. Gil, O. Estévez-Hernández et al. · New Journal of Chemistry · 2015 · 55 citations · Full text

Organic Charge-transfer Compound, Compound 1-Benzyl-3-furoyl-1-phenylthiourea, Theoretical Study +11

Exploring weak intermolecular interactions in thiocyanate-bonded Zn(<scp>ii</scp>) and Cd(<scp>ii</scp>) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties

Alejandro Di Santo, Hiram Pérez, Gustavo A. Echeverría et al. · RSC Advances · 2018 · 55 citations · Full text