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New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical and environmental effects on chiroptical spectra

Computational spectroscopy has recently evolved from a field reserved to specialists toward a general tool allowing interpretations and analyses of experimental results. However, the current practice of providing tables of transitions for rigid geometries, possibly tuned by phenomenological broadeni...

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Shranjeno v:
Bibliografske podrobnosti
izdano v:Chirality
Main Authors: Barone, Vincenzo, Baiardi, Alberto, Bloino, Julien
Format: Artigo
Jezik:Inglês
Izdano: 2014
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC4604663/
https://ncbi.nlm.nih.gov/pubmed/24839096
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/chir.22325
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