Ab initio calculations of the interaction potentials and thermodynamic functions for ArN and ArN+
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27078
Abstract: Argon compounds play an important role in the mass spectrometry with inductively coupled plasma and other applications. At the same time, there is a little knowledge of their electronic terms and thermodynamic functions due to… read more here.
Keywords: interaction potentials; initio calculations; thermodynamic functions; calculations interaction ... See more keywords
Molecular dynamics simulation study of NH4+ and NH2− in liquid ammonia: interaction potentials, structural and dynamical properties
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-022-05110-1
Abstract: We provide tailor-made GAFF2-type interaction potentials for modeling ammonium and amide ions in ammonia. Based on harmonic approximation of intra-molecular bond stretching and bending, our force fields nicely reproduce the vibrational modes of NH4+ and… read more here.
Keywords: interaction potentials; liquid ammonia; nh4 nh2;
Duality in interaction potentials for curved surface bodies and inside particles
Sign Up to like & getrecommendations! Published in 2017 at "Applied Mathematics and Mechanics"
DOI: 10.1007/s10483-017-2223-9
Abstract: Based on the viewpoint of duality, this paper studies the interaction between a curved surface body and an inside particle. By convex/concave bodies with geometric duality, interaction potentials of particles located outside and inside the… read more here.
Keywords: duality interaction; curved surface; surface; interaction potentials ... See more keywords
Observation of interspecies Feshbach resonances in an ultracold 39K-133Cs mixture and refinement of interaction potentials.
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DOI: 10.1103/physreva.95.022715
Abstract: We observe interspecies Feshbach resonances due to s-wave bound states in ultracold 39K -133Cs scattering for three different spin mixtures. The resonances are observed as joint atom loss and heating of the K sample. We… read more here.
Keywords: interspecies feshbach; ultracold 39k; interaction potentials; feshbach resonances ... See more keywords