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General formulation of vibronic spectroscopy in internal coordinates

Our general platform integrating time-independent and time-dependent evaluations of vibronic effects at the harmonic level for different kinds of absorption and emission one-photon, conventional and chiral spectroscopies has been extended to support various sets of internal coordinates. Thanks to th...

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Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:J Chem Phys
Egile Nagusiak: Baiardi, Alberto, Bloino, Julien, Barone, Vincenzo
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2016
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC5732572/
https://ncbi.nlm.nih.gov/pubmed/26931688
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4942165
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