Theoretical Chemistry Accounts

Papers
(The H4-Index of Theoretical Chemistry Accounts is 12. 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
Non-covalent interactions constructor of 3D networks of Co (II) and Cu (II) complexes with pyridine ligands: systematic theoretical and experimental survey65
In silico designing of Si- and Ge-doped imidazolium: a new heterocyclic aromatic superacid28
Aminolysis of O-methyl-N-methylcarbamate as a model for the production of polyureas. a DFT study28
Theoretical investigation on the reaction of n-C3H7O2 with Cl22
Theoretical study of reaction of urea with methylamine: nucleophilic addition pathway20
Comparison of various core electron treatments for studying the properties of II-VI quantum dots and their bulk counterparts: a DFT study19
Exploring the potential and limitations of cyclopeptides as pharmaceutical drugs: a computational peptidology approach to the study of grassypeptolides A-G18
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 spinel14
Pure and Cu, Fe, and Zn-doped CNTs as novel drug carriers for dacarbazine13
Structure and dynamics of a glucose-based cryoprotectant mixture: a computer simulation study13
Scientific contributions making a difference12
Properties of Ti2CO2 and Ti2CO2/G heterostructures as anodes of sodium-ion batteries by first-principles study12
CrI3 nanolayer for Hg removal from gas flue12
Quantum chemical study on the mechanism and selectivity of [3 + 2] cycloaddition reactions of aryl nitrile oxides with furanone12
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