GUI Implementation of VCDtools, A Program to Analyze Computed Vibrational Circular Dichroism Spectra

[Image: see text] As computing power increases, vibrational circular dichroism (VCD) calculations on molecules of larger sizes and complexities become possible. At the same time, the spectra resulting from these computations become increasingly more cumbersome to analyze. Here, we describe the GUI i...

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Publicat a:J Chem Inf Model
Autors principals: Koenis, Mark A. J., Visser, Olivier, Visscher, Lucas, Buma, Wybren J., Nicu, Valentin P.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2019
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6988127/
https://ncbi.nlm.nih.gov/pubmed/31830414
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00956
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