Theoretical Chemistry Accounts

Papers
(The H4-Index of Theoretical Chemistry Accounts is 13. 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.)
ArticleCitations
Exploring the potential and limitations of cyclopeptides as pharmaceutical drugs: a computational peptidology approach to the study of grassypeptolides A-G56
Structure and dynamics of a glucose-based cryoprotectant mixture: a computer simulation study43
Analytical multiconfiguration treatment to one-center many-electron He-isoelectronic ions and Period-II elements with H-like bound-states18
An alternative material obtained for spintronic applications using first-principles approximations: TiV2Se4 spinel18
Aminolysis of O-methyl-N-methylcarbamate as a model for the production of polyureas. a DFT study16
Non-covalent interactions constructor of 3D networks of Co (II) and Cu (II) complexes with pyridine ligands: systematic theoretical and experimental survey15
In silico designing of Si- and Ge-doped imidazolium: a new heterocyclic aromatic superacid13
A theoretical study on intermolecular hydrogen bonds of isopropanol-water clusters13
A DFT study of the molecular and electronic structures of cis-dioxidomolybdenum (VI) complex of 8-hydroxyquinoline and 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one with water13
Theoretical investigation on the reaction of n-C3H7O2 with Cl13
Comparison of various core electron treatments for studying the properties of II-VI quantum dots and their bulk counterparts: a DFT study13
Spectroscopy from quantum dynamics: a mixed wave function/analytical line shape functions approach13
Theoretical study of reaction of urea with methylamine: nucleophilic addition pathway13
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