Browsing by Author "fd3a2547-a87c-4423-9354-78aab2c791de"
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Miranda Rojas, Sebastián; Sierra Rosales, Paulina; Muñoz Castro, Alvaro; Arratia Pérez, Ramiro; Zagal Moya, José H.; Mendizábal Emaldía, Fernando (Royal Soc Chemistry, 2016)The need of deeper insights regarding the inner working of catalysts represents a current challenge in the search of new ways to tune their activities towards new chemical transformations. Within this field, metallophtha ...
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Paredes Gil, Katherine; Páez Hernández, Dayán; Arratia Pérez, Ramiro; Mendizábal Emaldía, Fernando (Wiley, 2020)Time-dependent density functional theory (TD-DFT)/periodic DFT calculations were performed to determine the role of pro-aromatic organic D-A-pi-A type dyes (the NL1-NL17 family) with Thieno[3,4-b]pyrazine (Tpy) as A acceptor ...