OOIR: Observatory of International Research

Papers

(The H4-Index of Structural Chemistry is 22. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-06-01 to 2025-06-01.)

Article	Citations
Fragment-based inhibitor design for SARS-CoV2 main protease	40
Synthesis, characterizations, and computational studies of new tetrasubstituted imidazole containing a benzothiazole moiety	40
Synthesis, spectral characteristics and molecular structure of N-(1-(5-amino-1H-1,2,4-triazol-1-yl)-2,2,2-trichloroethyl)carboxamides	40
Salts containing different amino acids: l-argininium ( +) sarcosine halogenides	36
Impact of hetero-atom doping on electronic structure and reactivity of anionic Al13− cluster: a combined density functional theory and global optimization investigation	35
Structure, vibrational characterization and DFT calculations of 1-(diaminomethylene)thiouron-1-ium 2,3-pyridinedicarboxylate	34
Elucidation of the enantiomer migration order of atenolol by theoretical calculations	31
Discovery of slow neutrons 90 years ago – A tribute to Enrico Fermi	31
On substituent effect in 1,n–homodisubstituted polyenes	31
Crystal structure and Hirshfeld surface analysis of copper(II) β-aminovinyl ketone complexes	30
Adsorption behavior of anti-cancer procarbazine on the surface of on pristine, Al-, Si-, and C-doped B24N24 fullerenes based on the density functional theory	29
Adsorption attributes of methyl naphthalene and naphthalene on P-Germanane sheets–a DFT outlook	29
New bis-azido iron(III) meso-arylporphyrin complex: spectroscopic characterization, solid state molecular structure, DFT, MEP, QTAIM calculations and Hirshfeld surface analyses	27
Mikhail S. Tsvet—pioneer of chromatography—150 years from his birth	26
DFT and NBO computational calculations support Schleyer’s hyperconjugative enhancement of aromaticity concept	25
Exploring structural requirements of simple benzene derivatives for adsorption on carbon nanotubes: CoMFA, GRIND, and HQSAR	24
Chemical modification-induced enhancements in quantum dot photovoltaics: a theoretical and molecular descriptive analysis	23
Energy contribution of heterocyclic sulfur and a disulfide bond in solid and gaseous phase	23
Tautomeric behavior of 1,2,4-triazole derivatives: combined spectroscopic and theoretical study	23
The conceptual power of the Hellmann–Feynman theorem	23
Effect of hydrophobic groups on adsorption of arginine-based amino acids to solid surfaces in water	22
Influence of water on the conformations and interactions within two choline chloride-based deep eutectic solvents: a density functional theory investigation	22