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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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Detalles Bibliográficos
Publicado en:J Chem Inf Model
Autores principales: Koenis, Mark A. J., Visser, Olivier, Visscher, Lucas, Buma, Wybren J., Nicu, Valentin P.
Formato: Artigo
Lenguaje:Inglês
Publicado: American Chemical Society 2019
Acceso en línea: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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