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Subject: DFT Language: Inglés Repository: 37

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Title: Photo release of nitrous oxide from the hyponitrite ion studied by infrared spectroscopy: evidence for the generation of a cobalt-N2O complex: experimental and DFT calculations
Author: Chacón Villalba, María Elizabeth / Franca, Carlos Alberto / Güida, Jorge Alberto
Language: Inglés
Repository: 37
Subject: Química / Física / Nitrous oxide complexes / Hyponitrite / Cobalt binuclear complex / Solid state photolysisInfrared spectroscopy / Quantum chemical calculations / DFT

Acceder
Title: On-surface transmetalation of metalloporphyrins
Author: Hötger, Diana / Abufager, Paula Natalia / Morchutt, Claudius / Alexa, Patrick / Grumelli, Doris Elda / Dreiser, Jan / Stepanow, Sebastian / Gambardella, Pietro / Busnengo, Heriberto Fabio / Etzkorn, Markus / Gutzler, Rico / Kern, Klaus
Language: Inglés
Repository: 37
Subject: Física / Porfirinas / Transmetalación / DFT

Acceder
Title: EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles
Author: Arce, Valeria Beatriz / Gargarello, Romina M. / Ortega, Florencia / Romañano, Virginia / Mizrahi, Martín D. / Ramallo López, José Martín / Cobos, Carlos Jorge / Airoldi, Claudio / Bernardelli, Cecilia Elena / Donati, Edgardo Rubén / Mártire, Daniel Osvaldo
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Cadmium / Lead / Silica nanoparticles / EXAFS / DFT / MEH-PPV

Acceder
Title: A DFT study of phenol adsorption on a low doping Mn–Ce composite oxide model
Author: D'Alessandro, Oriana / García Pintos, Delfina / Juan, Alfredo / Irigoyen, Beatriz / Sambeth, Jorge Enrique
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Química / Phenol Adsorption / DRIFTS / Phenoxy / DFT / CeO2

Acceder

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