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 2021-05-01 to 2025-05-01.)
ArticleCitations
Exploring the potential and limitations of cyclopeptides as pharmaceutical drugs: a computational peptidology approach to the study of grassypeptolides A-G55
Structure and dynamics of a glucose-based cryoprotectant mixture: a computer simulation study40
Probing the effect of carbon doping on structures, properties, and stability of magnesium clusters17
An alternative material obtained for spintronic applications using first-principles approximations: TiV2Se4 spinel17
Clifford boundary conditions for periodic systems: the Madelung constant of cubic crystals in 1, 2 and 3 dimensions16
A theoretical study on intermolecular hydrogen bonds of isopropanol-water clusters16
Analytical multiconfiguration treatment to one-center many-electron He-isoelectronic ions and Period-II elements with H-like bound-states15
Theoretical study of reaction of urea with methylamine: nucleophilic addition pathway14
Aminolysis of O-methyl-N-methylcarbamate as a model for the production of polyureas. a DFT study13
Isothermal-isobaric thermodynamics of small $$\mathrm {Hg}_{N}$$ clusters. A case study on $$\mathrm {Hg}_{8}$$.13
Theoretical investigation on the reaction of n-C3H7O2 with Cl12
In silico designing of Si- and Ge-doped imidazolium: a new heterocyclic aromatic superacid12
Non-covalent interactions constructor of 3D networks of Co (II) and Cu (II) complexes with pyridine ligands: systematic theoretical and experimental survey12
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