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Questions related from Corentin Lefebvre
Dear colleagues, Do you know any software (free would be the best!) to plot first-order simulated NMR spectra (including chemical shift, coupling constants, splitting pattern and...
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Dear colleagues, I tried to install Gamess (version = 30 SEP 2020 (R2)) on my personnal machine: Ubuntu 20.04 Focal Fossa LTS but always fall on the the same error when performing a try...
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Dear all, I'm wondering how to obtain a wavefunction file (.wfn) for a given excited-state with Gaussian09 or Gaussian16 Let's consider I use TD-DFT for the determination of 10 excited-states of...
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Dear all, I'm trying to make a Morokuma analysis with Gamess and always fall on the same error I could not solve: "total number of electrons in super molecule is not equal to the sum of those in...
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I am actually wondering what is the range of oxidation potential of alkyl halides, especially species bearing an Iodine atom. I didn't find information in my book (organic electrochemistry by Ole...
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