화학공학소재연구정보센터
검색결과 : 21건
No. Article
1 Host-Guest-Induced Electron Transfer Triggers Radical-Cation Catalysis
Spicer RL, Stergiou AD, Young TA, Duarte F, Symes MD, Lusby PJ
Journal of the American Chemical Society, 142(5), 2134, 2020
2 Rationalizing the Activity of an "Artificial Diels-Alderase": Establishing Efficient and Accurate Protocols for Calculating Supramolecular Catalysis
Young TA, Marti-Centelles V, Wang JZ, Lusby PJ, Duarte F
Journal of the American Chemical Society, 142(3), 1300, 2020
3 Optimization of Injection Stretch Blow Molding: Part I - Defining Part Thickness Profile
Denysiuk R, Goncalves N, Pinto R, Silva H, Duarte F, Nunes J, Gaspar-Cunha A
International Polymer Processing, 34(3), 314, 2019
4 Stereospecific 1,3-H Transfer of Indenols Proceeds via Persistent Ion-Pairs Anchored by NH center dot center dot center dot pi Interactions
Ascough DMH, Duarte F, Paton RS
Journal of the American Chemical Society, 140(48), 16740, 2018
5 Molecular Recognition in Asymmetric Counteranion Catalysis: Understanding Chiral Phosphate-Mediated Desymmetrization
Duarte F, Paton RS
Journal of the American Chemical Society, 139(26), 8886, 2017
6 The Competing Mechanisms of Phosphate Monoester Dianion Hydrolysis
Duarte F, Barrozo A, Aqvist J, Williams NH, Kamerlin SCL
Journal of the American Chemical Society, 138(33), 10664, 2016
7 Resolving Apparent Conflicts between Theoretical and Experimental Models of Phosphate Monoester Hydrolysis
Duarte F, Aqvist J, Wiliams NH, Kamerlin SCL
Journal of the American Chemical Society, 137(3), 1081, 2015
8 Cooperative Electrostatic Interactions Drive Functional Evolution in the Alkaline Phosphatase Superfamily
Barrozo A, Duarte F, Bauer P, Carvalho ATP, Kamerlin SCL
Journal of the American Chemical Society, 137(28), 9061, 2015
9 Force Field Independent Metal Parameters Using a Nonbonded Dummy Model
Duarte F, Bauer P, Barrozo A, Amrein BA, Purg M, Aqvist J, Kamerlin SCL
Journal of Physical Chemistry B, 118(16), 4351, 2014
10 New insight about orange II elimination by characterization of spent activated carbon/Fe Fenton-like catalysts
Duarte F, Maldonado-Hodar FJ, Madeira LM
Applied Catalysis B: Environmental, 129, 264, 2013