Frequency Range Selection Method for Vibrational Spectra

[Image: see text] Theoretical calculations of vibrational properties are widely used to explain and predict experimental spectra. However, with standard quantum chemical methods all molecular motions are considered, which is rather time-consuming for large molecules. Because typically only a specifi...

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Detaylı Bibliyografya
Yayımlandı:J Phys Chem Lett
Asıl Yazarlar: Teodoro, T. Q., Koenis, M. A. J., Galembeck, S. E., Nicu, V. P., Buma, W. J., Visscher, L.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: American Chemical Society 2018
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC6287222/
https://ncbi.nlm.nih.gov/pubmed/30449106
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.8b02963
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