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
Autores principales: Koenis, Mark A. J., Visser, Olivier, Visscher, Lucas, Buma, Wybren J., Nicu, Valentin P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6988127/
https://www.ncbi.nlm.nih.gov/pubmed/31830414
http://dx.doi.org/10.1021/acs.jcim.9b00956

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6988127/
https://www.ncbi.nlm.nih.gov/pubmed/31830414
http://dx.doi.org/10.1021/acs.jcim.9b00956

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