Structural Chemistry

Papers
(The H4-Index of Structural Chemistry is 18. 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 2021-03-01 to 2025-03-01.)
ArticleCitations
Paul Berg (1926–2023)—“father of genetic engineering,” organizer of the Asilomar meeting37
Identification of some dietary flavonoids as potential inhibitors of TMPRSS2 through protein–ligand interaction studies and binding free energy calculations35
The intelligence way of economical synthesis strategies of an N-alkylcarbazole34
Does P and Se doping effect molecular properties of S,N-heteroacene?33
Analysis of ion-ion interactions in the crystal structure of triazaphenalenium hexahydropyrimidopyrimidinium bistosylate32
Adsorption behavior of VX nerve agent on X12Y12 nanocages: a density functional theory study30
Adsorption and decomposition mechanism of N2O molecule over MC23 (M = Ru, Mn, V, Pd, and Rh) nanoclusters: A comparative DFT investigation30
Synthesis, structure, Hirshfeld surface analysis, and molecular docking studies of the Cu(II) complex with 3-nitro-4-aminobenzoic acid29
Features of contraction of solids: cooling vs pressing28
Discovery of slow neutrons 90 years ago – A tribute to Enrico Fermi28
Theoretical insight into the mechanism and selectivity of the [3 + 2] cycloaddition reaction of N-methyl-1-phenylmethanimine oxide and bicyclopropylidene from the MEDT perspective27
Strategies with spectroscopic and optical insights for optoelectronic applications of novel synthesized Schiff base: impact of nitro group26
Tribute to pioneers: introduction to the contributions on bonding and structure24
A computational DFT insight into adsorption properties of urea and creatinine molecules on pristine B24O24 nanocluster24
In silico docking and ADME study of deketene curcumin derivatives (DKC) as an aromatase inhibitor or antagonist to the estrogen-alpha positive receptor (Erα+): potent application of breast cancer22
A comparative DFT study on antioxidative activity of 3- and 4-phenylcoumarins: an aspect of structure, electronics, mechanism, kinetics, and metal chelate relations22
Tuberculosis and HIV responses threatened by nCOVID-19: A situation prompting an in silico investigation of reported MbtA inhibitors for combined inhibition of SARS-CoV-2 and HIV-TB co-infection21
Investigation of antioxidant activity of epigallocatechin gallate and epicatechin as compared to resveratrol and ascorbic acid: experimental and theoretical insights20
Hydration study of Silymarin and its ethylene glycol derivatives compounds by Monte Carlo simulation method18
Synthesis, spectral characteristics and molecular structure of N-(1-(5-amino-1H-1,2,4-triazol-1-yl)-2,2,2-trichloroethyl)carboxamides18
Ingemar Ernberg, Göran Johansson, Tomas Lindbad, Joar Svanik, Göran Wendin, Quantum Physics and Life18
Design and selection of pyrazolo[3,4-d][1,2,3]triazole-based high-energy materials18
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