Molecular Physics

Papers
(The H4-Index of Molecular Physics is 20. 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 2021-11-01 to 2025-11-01.)
ArticleCitations
A graph theoretical study of porphyrin-cored dendrimers by means of Sombor indices:a computational approach127
DFT simulations of Al-doped MoTe 2 monolayer as an HCHO and C 2 H 3 Cl gas sensor for status ev58
Efficient transfer of population between rotational levels in deuterated ammonia using THz transitions50
Theoretical molecular spectroscopy of actinide compounds: the ThO molecule49
Interaction of the anionic surfactant aerosol OT (AOT) with six polar solvents: a Born-Oppenheimer molecular dynamics study44
Double-Hard-Sphere perturbation theory: a perturbation theory that is less dependent on the value of the hard-sphere diameter42
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 investigati39
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 protea39
Adsorption properties of radionuclides on BC3: the first principles study33
High-resolution photoelectron spectroscopy of the very weakly bound MgNe molecule31
Second-order corrections of orders mα 6 and mα 6 ( m/M ) to t30
Ni-decorated WS 2 -WSe 2 heterostructure as a novel sensing candidate upon C 2 H 28
Selectively enabling linear combination of atomic orbital coefficients to improve linear method optimizations in variational Monte Carlo28
Self-assembly of single species polygons with patchy models in 2D26
Identification of lomustine drug by graphyne-like boron nitride: DFT approach25
Theoretical exploration of the spin-orbit coupled potential energy surface of the Mg + –He molecular ion23
A scientific biography of Dr. Timothy J. Lee22
Description of electrolytes at high temperatures within the binding mean spherical approximation (BiMSA)22
Water at negative pressure: nuclear quantum effects21
Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?20
Monte Carlo simulations of the blinking-checkers model for polyamorphic fluids20
A -value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods20
0.066495180130005