Category Archives: Molecular Physics
Ab initio interaction potentials of alkali metal (M = Na and K)–rare gas (Rg = He, Ne, Ar, Kr, Xe and Rn) complexes
Structural characterization of nanomaterials C4C8
Evaluation of ibuprofen drug assay using silicon doped graphdiyne: insights from density functional theory
Mechanism of disproportionation of methylchlorosilanes by ZSM-5(3T)@MIL-53(Al) core–shell catalyst
Can G4-like composite Ab Initio methods accurately predict vibrational harmonic frequencies?
Rotational spectroscopy of the thioformaldehyde isotopologues H2CS and H2C34S in four interacting excited vibrational states and an account on the rotational spectrum of thioketene, H2CCS
Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH5+
Fundamental vibrational frequencies of pnictogen (Pn) containing linear triatomic anions: OCPn- and SCPn- where Pn = N, P, As and Sb
Correction
Volume 121, Issue 17-18, September 2023. Continue reading Correction