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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Bibliografiske detaljer
Udgivet i:J Chem Inf Model
Main Authors: Koenis, Mark A. J., Visser, Olivier, Visscher, Lucas, Buma, Wybren J., Nicu, Valentin P.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2019
Online adgang: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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