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 2022-01-01 to 2026-01-01.)
ArticleCitations
A graph theoretical study of porphyrin-cored dendrimers by means of Sombor indices:a computational approach132
DFT simulations of Al-doped MoTe 2 monolayer as an HCHO and C 2 H 3 Cl gas sensor for status ev64
Efficient transfer of population between rotational levels in deuterated ammonia using THz transitions59
Theoretical molecular spectroscopy of actinide compounds: the ThO molecule51
Interaction of the anionic surfactant aerosol OT (AOT) with six polar solvents: a Born-Oppenheimer molecular dynamics study49
Impact of donor acidity on νC≡Nand νO–Hspectral shifts in O-H···N≡C H-bonded complexes between nitriles and alcohols: a combined IR spectroscopic and quantum chemical investigati44
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 protea43
Second-order corrections of orders mα 6 and mα 6 ( m/M ) to t33
Selectively enabling linear combination of atomic orbital coefficients to improve linear method optimizations in variational Monte Carlo31
High-resolution photoelectron spectroscopy of the very weakly bound MgNe molecule31
Self-assembly of single species polygons with patchy models in 2D29
Identification of lomustine drug by graphyne-like boron nitride: DFT approach28
Theoretical exploration of the spin-orbit coupled potential energy surface of the Mg + –He molecular ion27
Description of electrolytes at high temperatures within the binding mean spherical approximation (BiMSA)26
A scientific biography of Dr. Timothy J. Lee24
Monte Carlo simulations of the blinking-checkers model for polyamorphic fluids23
Water at negative pressure: nuclear quantum effects23
A -value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods22
Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?22
Theoretical investigation of the spectroscopic properties of diatomic systems: ZnTe, ZnTe+, and ZnTe-21
Modelling the solid–liquid–vapour phase behaviour of n -alkanes in a TPT-1 framework21
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