Structural Chemistry

Papers
(The H4-Index of Structural Chemistry is 19. 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 2022-08-01 to 2026-08-01.)
ArticleCitations
Elucidation of the enantiomer migration order of atenolol by theoretical calculations55
Discovery of slow neutrons 90 years ago – A tribute to Enrico Fermi46
Impact of hetero-atom doping on electronic structure and reactivity of anionic Al13− cluster: a combined density functional theory and global optimization investigation44
Structural diversity and the role of solvents in supramolecular arrangement of FeIIIPc(CN)(H2O) solvate crystals41
Trimethoxyphenyl-1,2,4-triazol-3-ones: synthesis, characterization, DFT, antimicrobial and acetylcholinesterase inhibitory activities with molecular docking and dynamics studies39
Salts containing different amino acids: l-argininium ( +) sarcosine halogenides37
Thiadiazole-furazan compounds: decomposition mechanism study by RMD and DFT33
A DFT-based study to understand the adsorption of alanine on carbon nanocups31
Synthesis, spectral characteristics and molecular structure of N-(1-(5-amino-1H-1,2,4-triazol-1-yl)-2,2,2-trichloroethyl)carboxamides30
Polymorphism and weak noncovalent interactions with unique halogen bonding in the supramolecular assemblies of (Z)-3-[(4-bromophenyl)amino]-2-cyanoprop-2-enoate28
Synthesis, characterizations, and computational studies of new tetrasubstituted imidazole containing a benzothiazole moiety26
On substituent effect in 1,n–homodisubstituted polyenes26
Avogadro constant and molecular crystals24
Structure, vibrational characterization and DFT calculations of 1-(diaminomethylene)thiouron-1-ium 2,3-pyridinedicarboxylate22
A DFT investigation of coordination isomerism of trans-[Cu(en)2(Sdz)2]: an overview of structural stability, bonding, non-covalent interactions and molecular docking22
Size evolution and property study on PdAgn (n = 1–17) clusters from density functional theory20
New bis-azido iron(III) meso-arylporphyrin complex: spectroscopic characterization, solid state molecular structure, DFT, MEP, QTAIM calculations and Hirshfeld surface analyses20
On the relative stability of the tautomers of ethyl acetoacetate19
Synthesis, Spectral Properties, Crystal Structure and DFT Studies of 2-((1-Phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzonitrile19
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