Cargando…
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...
| Autores principales: | , , , , |
|---|---|
| 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 |