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Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods

TitleSilanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods
Publication TypeJournal Article
Year of Publication2016
AuthorsBatista, APD de L, Zahariev, F, Slowing, II, Braga, AAC, Ornellas, FR, Gordon, MS
JournalJournal of Physical Chemistry B
Volume120
Pagination1660-1669
Date Published03
Type of ArticleArticle
ISBN Number1520-6106
Accession NumberWOS:000371562700029
Keywordsacid, aldol reaction, base, cooperative catalysis, efficient, mechanics, mm3 force-field, molecular-orbital method, si(100)-2 x-1 surface, systems
Abstract

n heterogeneous catalysis problems are the target.

DOI10.1021/acs.jpcb.5b08446
Custom 1

Chemical Physics

Custom 2

3D Catalysis