A ReaxFF Reactive Force-field for Proton Transfer Reactions in Bulk Water and Its Applications to Heterogeneous Catalysis

Adri C.T. van Duin; Chenyu Zou; Kaushik Joshi; Vyascheslav Bryantsev; William A. Goddard

doi:10.1039/9781839163296-00280

A ReaxFF Reactive Force-field for Proton Transfer Reactions in Bulk Water and Its Applications to Heterogeneous Catalysis

Adri C.T. van Duin
, Chenyu Zou
, Kaushik Joshi
, Vyascheslav Bryantsev
, William A. Goddard

Résultats de recherche: Le chapitre dans un livre, un rapport, une anthologie ou une collection › Chapitre › Revue par des pairs

langue originale	Anglais
titre	RSC Catalysis Series
rédacteurs en chef	Aravind Asthagiri, Michael Janik
Editeur	Royal Society of Chemistry
Pages	280-300
Nombre de pages	21
Les DOIs	https://doi.org/10.1039/9781839163296-00280
état	Publié - 20 déc. 2024
Modification externe	Oui

Série de publications

Nom	RSC Catalysis Series
Volume	48
ISSN (imprimé)	1757-6725
ISSN (Electronique)	1757-6733

Accès au document

10.1039/9781839163296-00280

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Contient cette citation

van Duin, A. C. T., Zou, C., Joshi, K., Bryantsev, V., & Goddard, W. A. (2024). A ReaxFF Reactive Force-field for Proton Transfer Reactions in Bulk Water and Its Applications to Heterogeneous Catalysis. Dans A. Asthagiri, & M. Janik (eds.), RSC Catalysis Series (p. 280-300). (RSC Catalysis Series; Vol 48). Royal Society of Chemistry. https://doi.org/10.1039/9781839163296-00280

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author = "\{van Duin\}, \{Adri C.T.\} and Chenyu Zou and Kaushik Joshi and Vyascheslav Bryantsev and Goddard, \{William A.\}",

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A ReaxFF Reactive Force-field for Proton Transfer Reactions in Bulk Water and Its Applications to Heterogeneous Catalysis. / van Duin, Adri C.T.; Zou, Chenyu; Joshi, Kaushik et al.
RSC Catalysis Series. Ed. / Aravind Asthagiri; Michael Janik. Royal Society of Chemistry, 2024. p. 280-300 (RSC Catalysis Series; Vol 48).

Résultats de recherche: Le chapitre dans un livre, un rapport, une anthologie ou une collection › Chapitre › Revue par des pairs

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AU - van Duin, Adri C.T.

AU - Zou, Chenyu

AU - Joshi, Kaushik

AU - Bryantsev, Vyascheslav

AU - Goddard, William A.

PY - 2024/12/20

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