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Theoretical modeling of the spectroscopic absorption properties of luciferin and oxyluciferin: A critical comparison with recent experimental studies

✍ Scribed by Massimiliano Anselmi; Simone Marocchi; Massimiliano Aschi; Andrea Amadei

Book ID: 113533219
Publisher: Elsevier Science
Year: 2012
Tongue: English
Weight: 452 KB
Volume: 392
Category: Article
ISSN: 0301-0104
DOI: 10.1016/j.chemphys.2011.11.021

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## Abstract This work aims at using theoretical calculations of shielding tensors (σ) through different methods [gauge‐independent atomic orbital (GIAO), continuous set of gauge transformations (CSGT) and individual gauges for atoms in molecules (IGAIM)] and spin‐spin coupling constants __J__ using