Toward Simulation of Fe(II) Low-Spin → High-Spin Photoswitching by Synergistic Spin-Vibronic Dynamics
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.1c01184
Abstract: A new theoretical approach is presented and applied for the simulation of Fe(II) low-spin (LS, singlet, t2g6eg0) → high-spin (HS, quintet, t2g4eg2) photoswitching dynamics of the octahedral model complex [Fe(NCH)6]2+. The utilized synergistic methodology heavily… read more here.
Keywords: high spin; methodology; low spin; simulation low ... See more keywords
Software for Simulation of Low-Speed Machining
Sign Up to like & getrecommendations! Published in 2021 at "Russian Engineering Research"
DOI: 10.3103/s1068798x21090240
Abstract: Software for the simulation of low-speed machining based on the SolidWorks and Deform-3D CAD/CAE systems is analyzed. The following properties are established: the optimal finite-element size; the influence of epilam nanofilms on thermal processes in… read more here.
Keywords: simulation low; speed machining; software simulation; low speed ... See more keywords