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 2022-05-01 to 2026-05-01.)
ArticleCitations
Interaction of the anionic surfactant aerosol OT (AOT) with six polar solvents: a Born-Oppenheimer molecular dynamics study136
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 protea69
Second-order corrections of orders mα 6 and mα 6 ( m/M ) to t52
Selectively enabling linear combination of atomic orbital coefficients to improve linear method optimizations in variational Monte Carlo46
A graph theoretical study of porphyrin-cored dendrimers by means of Sombor indices:a computational approach45
π-Stacking isomerism and hydrogen bonding in thiol aggregates: rotational investigation of the phenol···thiophenol heterodimer44
Self-assembly of single species polygons with patchy models in 2D32
Theoretical exploration of the spin-orbit coupled potential energy surface of the Mg + –He molecular ion32
Identification of lomustine drug by graphyne-like boron nitride: DFT approach32
Description of electrolytes at high temperatures within the binding mean spherical approximation (BiMSA)31
A scientific biography of Dr. Timothy J. Lee30
A -value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods27
Theoretical investigation of the spectroscopic properties of diatomic systems: ZnTe, ZnTe+, and ZnTe-26
Prism rather than tetrahedron: low-energy structures for gaseous gold clusters Au 10 (O 2 ) n <25
Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH 5 +25
Modelling the solid–liquid–vapour phase behaviour of n -alkanes in a TPT-1 framework25
CF4-n(SO3)n(n = 1–4): a new series of organic superhalogens24
The electronic system (2)2Σ+ and (1)2Π of LiCa24
Theoretical investigations on the reaction of ethenol with triplet oxygen atom24
Comparison of Born–Oppenheimer approximation and electron-nuclear correlation23
A model study of fluorination in the Simons process: first-principles investigation of CO adsorption on NiF 2 (001) surface22
Adsorption properties of radionuclides on BC3: the first principles study21
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