OOIR: Observatory of International Research

Papers

(The H4-Index of Structural Chemistry is 20. 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 2022-05-01 to 2026-05-01.)

Article	Citations
Elucidation of the enantiomer migration order of atenolol by theoretical calculations	53
Discovery of slow neutrons 90 years ago – A tribute to Enrico Fermi	52
Impact of hetero-atom doping on electronic structure and reactivity of anionic Al13− cluster: a combined density functional theory and global optimization investigation	51
Fragment-based inhibitor design for SARS-CoV2 main protease	42
Structural diversity and the role of solvents in supramolecular arrangement of FeIIIPc(CN)(H2O) solvate crystals	39
Crystal structure and Hirshfeld surface analysis of copper(II) β-aminovinyl ketone complexes	38
Adsorption attributes of methyl naphthalene and naphthalene on P-Germanane sheets–a DFT outlook	38
Structure, vibrational characterization and DFT calculations of 1-(diaminomethylene)thiouron-1-ium 2,3-pyridinedicarboxylate	38
Investigation of the impact of DMSO and H2O solvents on the electronic and photovoltaic properties of graphene-oxide nanostructures: A DFT study	35
Exploration of the eigenvectors of the localization delocalization matrices for rutile TiO2 finite unit cells and solids: from resonance to QTAIM	35
Synthesis, Spectral Properties, Crystal Structure and DFT Studies of 2-((1-Phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzonitrile	33
Size evolution and property study on PdAgn (n = 1–17) clusters from density functional theory	29
A new series of pyrazoles-based compounds: synthesis, HOMO–LUMO analysis, MEP, quantum reactivity, and in silico covid-19 activity	27
Trimethoxyphenyl-1,2,4-triazol-3-ones: synthesis, characterization, DFT, antimicrobial and acetylcholinesterase inhibitory activities with molecular docking and dynamics studies	26
Salts containing different amino acids: l-argininium ( +) sarcosine halogenides	25
Avogadro constant and molecular crystals	25
Thiadiazole-furazan compounds: decomposition mechanism study by RMD and DFT	24
On substituent effect in 1,n–homodisubstituted polyenes	23
A DFT-based study to understand the adsorption of alanine on carbon nanocups	23
New bis-azido iron(III) meso-arylporphyrin complex: spectroscopic characterization, solid state molecular structure, DFT, MEP, QTAIM calculations and Hirshfeld surface analyses	20
Synthesis, characterizations, and computational studies of new tetrasubstituted imidazole containing a benzothiazole moiety	20
Synthesis, spectral characteristics and molecular structure of N-(1-(5-amino-1H-1,2,4-triazol-1-yl)-2,2,2-trichloroethyl)carboxamides	20
Effect of hydrophobic groups on adsorption of arginine-based amino acids to solid surfaces in water	20
Polymorphism and weak noncovalent interactions with unique halogen bonding in the supramolecular assemblies of (Z)-3-[(4-bromophenyl)amino]-2-cyanoprop-2-enoate	20