Title: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution Year: 2019
Authors (8):
S. J. Bennie, N. Lawan, S. J. Macrae, F. R. Manby, A. J. Mulholland, K. E. Ranaghan, D. Shchepanovska, J. Zurek
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.8b00940 article-journal
Themes: Biocatalysis (2019)
|
Title: Optimizing catalyst pore network structure in the presence of deactivation by coking Year: 2019
Authors (6):
G. Ye, H. Wang, X. Zhou, F. J. Keil, M. -O. Coppens, W. Yuan
Publisher: AIChE Journal
DOI: 10.1002/aic.16687 article-journal
Themes: Design (2019)
|
Title: Isoselective Lactide Ring Opening Polymerisation using [2]Rotaxane Catalysts Year: 2019
Authors (4):
J. Y. C. .Lim, N. Yuntawattana, P. D. Beer, C. K. Williams
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201901592 journal-article
Themes: Transformations (2019)
|
Title: Metabolically Active, Fully Hydrolysable Polymersomes Year: 2019
Authors (7):
Y. Zhu, A. Poma, L. Rizzello, V. M. Gouveia, L. Ruiz‐Perez, G. Battaglia, C. K. Williams
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201814320 journal-article
Themes: Transformations (2019)
|
Title: Practical and Scalable Kinetic Resolution of BINOLs Mediated by a Chiral Counterion Year: 2019
Authors (5):
B. A. Jones, T. Balan, J. D. Jolliffe, C. D. Campbell, M. D. Smith
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201814381 journal-article
Themes: Transformations (2019)
|
Title: An N‐Heterocyclic Boryloxy Ligand Isoelectronic with N‐Heterocyclic Imines: Access to an Acyclic Dioxysilylene and its Heavier Congeners Year: 2019
Authors (5):
Y. K. Loh, L. Ying, M. Ángeles Fuentes, D. C. H. Do, S. Aldridge
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201812058 journal-article
Themes: Transformations (2019)
|
Title: Understanding the Role of Internal Diffusion Barriers in Pt/Beta Zeolite Catalyzed Isomerization of n‐Heptane Year: 2019
Authors (6):
Z. Guo, X. Li, S. Hu, G. Ye, X. Zhou, M. -O. Coppens
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201913660 journal-article
Themes: Design (2019)
|
Title: Pore network modeling of catalyst deactivation by coking, from single site to particle, during propane dehydrogenation Year: 2019
Authors (7):
G. Ye, H. Wang, X. Duan, Z. Sui, X. Zhou, M. -O. Coppens, W. Yuan
Publisher: AIChE Journal
DOI: 10.1002/aic.16410 journal-article
Themes: Design (2019)
|