Molecular Physics

Papers
(The H4-Index of Molecular Physics is 21. 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 2022-06-01 to 2026-06-01.)
ArticleCitations
Self-assembly of single species polygons with patchy models in 2D138
Identification of lomustine drug by graphyne-like boron nitride: DFT approach69
Theoretical exploration of the spin-orbit coupled potential energy surface of the Mg + –He molecular ion52
Description of electrolytes at high temperatures within the binding mean spherical approximation (BiMSA)48
A -value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods46
Theoretical investigation of the spectroscopic properties of diatomic systems: ZnTe, ZnTe+, and ZnTe-33
Prism rather than tetrahedron: low-energy structures for gaseous gold clusters Au 10 (O 2 ) n <32
Modelling the solid–liquid–vapour phase behaviour of n -alkanes in a TPT-1 framework32
The electronic system (2)2Σ+ and (1)2Π of LiCa32
CF4-n(SO3)n(n = 1–4): a new series of organic superhalogens31
Theoretical investigations on the reaction of ethenol with triplet oxygen atom28
A model study of fluorination in the Simons process: first-principles investigation of CO adsorption on NiF 2 (001) surface26
Comparison of Born–Oppenheimer approximation and electron-nuclear correlation26
Interaction of the anionic surfactant aerosol OT (AOT) with six polar solvents: a Born-Oppenheimer molecular dynamics study25
Second-order corrections of orders mα 6 and mα 6 ( m/M ) to t25
2,4-dichloro-6-(1,4,5-triphenyl-1 H -imidazol-2-yl) phenol: synthesis, DFT analysis, Molecular docking, molecular dynamics, ADMET properties against COVID-19 main protea25
Adsorption properties of radionuclides on BC3: the first principles study25
On expected values of some degree based topological descriptors of random Phenylene chains24
Selectively enabling linear combination of atomic orbital coefficients to improve linear method optimizations in variational Monte Carlo24
Studying the influence of electron donor-withdraw groups on the photophysical properties of 3-arylthioimidazo[1,2- a ]pyridines: experimental and theoretical study23
π-Stacking isomerism and hydrogen bonding in thiol aggregates: rotational investigation of the phenol···thiophenol heterodimer23
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