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 2021-08-01 to 2025-08-01.)

Article	Citations
Synthesis, spectral characteristics and molecular structure of N-(1-(5-amino-1H-1,2,4-triazol-1-yl)-2,2,2-trichloroethyl)carboxamides	42
Fragment-based inhibitor design for SARS-CoV2 main protease	42
Salts containing different amino acids: l-argininium ( +) sarcosine halogenides	37
Synthesis, characterizations, and computational studies of new tetrasubstituted imidazole containing a benzothiazole moiety	37
Impact of hetero-atom doping on electronic structure and reactivity of anionic Al13− cluster: a combined density functional theory and global optimization investigation	36
Size evolution and property study on PdAgn (n = 1–17) clusters from density functional theory	36
Synthesis, Spectral Properties, Crystal Structure and DFT Studies of 2-((1-Phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzonitrile	34
Elucidation of the enantiomer migration order of atenolol by theoretical calculations	33
On substituent effect in 1,n–homodisubstituted polyenes	31
Discovery of slow neutrons 90 years ago – A tribute to Enrico Fermi	30
Crystal structure and Hirshfeld surface analysis of copper(II) β-aminovinyl ketone complexes	30
Structure, vibrational characterization and DFT calculations of 1-(diaminomethylene)thiouron-1-ium 2,3-pyridinedicarboxylate	27
Adsorption attributes of methyl naphthalene and naphthalene on P-Germanane sheets–a DFT outlook	27
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	27
A DFT-based study to understand the adsorption of alanine on carbon nanocups	25
New bis-azido iron(III) meso-arylporphyrin complex: spectroscopic characterization, solid state molecular structure, DFT, MEP, QTAIM calculations and Hirshfeld surface analyses	24
DFT and NBO computational calculations support Schleyer’s hyperconjugative enhancement of aromaticity concept	24
Tautomeric behavior of 1,2,4-triazole derivatives: combined spectroscopic and theoretical study	23
Synthesis, single crystal X-ray structure determination, Hirshfeld surface analysis, crystal voids studies, and density functional theory calculations of N-carbamothioylbenzamide and 1,3,5-triazinane-	23
Exploring structural requirements of simple benzene derivatives for adsorption on carbon nanotubes: CoMFA, GRIND, and HQSAR	23
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	22