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Towards operando computational modeling in heterogeneous catalysis

An increased synergy between experimental and theoretical investigations in heterogeneous catalysis has become apparent during the last decade. Experimental work has extended from ultra-high vacuum and low temperature towards operando conditions. These developments have motivated the computational c...

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Detalles Bibliográficos
Autores principales:	Grajciar, Lukáš, Heard, Christopher J., Bondarenko, Anton A., Polynski, Mikhail V., Meeprasert, Jittima, Pidko, Evgeny A., Nachtigall, Petr
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6240816/ https://www.ncbi.nlm.nih.gov/pubmed/30204184 http://dx.doi.org/10.1039/c8cs00398j

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