C2H4O2, Acetic acid, Geometry optimization and IR spectrum in 1 minute, SPEED UP
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YouTubeSerkan Güldal
C2H4O2, Acetic acid, Geometry optimization and IR spectrum in 1 minute, SPEED UP
A speed-up simulation example from drawing molecular geometry to visualization of the IR spectrum. All done by FREE programs! Here is the details of the simulation: Hartree-Fock and SV / Hartree-Fock ve SV UFF - Universal Force Field IR - Infrared Spectrum Geometry Optimization / Geometri Optimizasyonu ORCA 5.0.1, https://orcaforum.kofo.mpg.de ...
已浏览 186 次2021年9月7日
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