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  • Currently displaying 4041 - 4060 of 29681 publications
Author(s)
Publication title
Journal Name
Publication year
Fixed- and Partial-Node Approximations in Slater Determinant Space for Molecules.
NS Blunt
Journal of chemical theory and computation
(2021)
17
A TiO2 -Co(terpyridine)2 Photocatalyst for the Selective Oxidation of Cellulose to Formate Coupled to the Reduction of CO2 to Syngas.
E Lam, E Reisner
Angewandte Chemie International Edition
(2021)
60
High dose gamma irradiation effects on properties of active layers in ZnO thin film transistors
V Mirkhani, S Wang, K Yapabandara, MS Sultan, MP Khanal, S Uprety, B Ozden, E Hassani, BV Schoenek, D-J Kim, T-S Oh, AC Ahyi, S Dhar, MC Hamilton, MH Sk, M Park
Semiconductor Science and Technology
(2021)
36
Visible-Light-Mediated Modification and Manipulation of Biomacromolecules
VM Lechner, M Nappi, PJ Deneny, S Folliet, JCK Chu, MJ Gaunt
Chem Rev
(2021)
122
Sequential Storage and Release of Microdroplets for On and Off-chip Analysis
Z Toprakcioglu, T Knowles
(2021)
Mechanistic Insights into Dideoxygenation in Gentamicin Biosynthesis
S Li, P Dos Santos Bury, F Huang, J Guo, G Sun, A Reva, C Huang, X Jian, Y Li, J Zhou, Z Deng, FJ Leeper, PF Leadlay, MVB Dias, Y Sun
ACS Catalysis
(2021)
11
A conformational switch controlling the toxicity of the prion protein
K Frontzek, M Bardelli, A Senatore, A Henzi, RR Reimann, S Bedir, M Marino, R Hussain, S Jurt, G Meisl, M Pedotti, F Mazzola, G Siligardi, O Zerbe, M Losa, T Knowles, A Lakkaraju, C Zhu, P Schwarz, S Hornemann, MG Holt, L Simonelli, L Varani, A Aguzzi
(2021)
New Insights into the Crystallographic Disorder in the Polymorphic Forms of Aspirin from Low-frequency Vibrational Analysis
Q Li, AD Bond, TM Korter, JA Zeitler
(2021)
Sequential Storage and Release of Microdroplets for On and Off-chip Analysis
Z Toprakcioglu, T Knowles
(2021)
New Insights into the Crystallographic Disorder in the Polymorphic Forms of Aspirin from Low-frequency Vibrational Analysis
Q Li, AD Bond, TM Korter, JA Zeitler
(2021)
Submersed micropatterned structures control active nematic flow, topology, and concentration.
K Thijssen, DA Khaladj, SA Aghvami, MA Gharbi, S Fraden, JM Yeomans, LS Hirst, TN Shendruk
Proc Natl Acad Sci U S A
(2021)
118
Lone pair driven anisotropy in antimony chalcogenide semiconductors
X Wang, Z Li, SR Kavanagh, AM Ganose, A Walsh
(2021)
An empirical model for solvation based on surface site interaction points.
DP Reynolds, MC Storer, CA Hunter
Chemical science
(2021)
12
ChemDataExtractor 2.0: Autopopulated Ontologies for Materials Science.
J Mavračić, CJ Court, T Isazawa, SR Elliott, JM Cole
Journal of Chemical Information and Modeling
(2021)
61
Trapping or slowing the diffusion of T cell receptors at close contacts initiates T cell signaling.
KY Chen, E Jenkins, M Körbel, A Ponjavic, AH Lippert, AM Santos, N Ashman, C O'Brien-Ball, J McBride, D Klenerman, SJ Davis
Proceedings of the National Academy of Sciences
(2021)
118
Photoredox-Catalyzed Dehydrogenative Csp3–Csp2 Cross-Coupling of Alkylarenes to Aldehydes in Flow
OM Griffiths, HA Esteves, Y Chen, K Sowa, OS May, P Morse, DC Blakemore, SV Ley
The Journal of Organic Chemistry
(2021)
86
Multi-stage ensemble-learning-based model fusion for surface ozone simulations: A focus on CMIP6 models
Z Sun, AT Archibald
Environ Sci Ecotechnol
(2021)
8
Liquid–liquid phase separation underpins the formation of replication factories in rotaviruses
F Geiger, J Acker, G Papa, X Wang, WE Arter, KL Saar, N Erkamp, R Qi, J Bravo, S Strauss, G Krainer, OR Burrone, R Jungmann, TPJ Knowles, H Engelke, A Borodavka
The EMBO Journal
(2021)
40
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces.
S Shepherd, J Lan, DM Wilkins, V Kapil
Journal of Physical Chemistry Letters
(2021)
12
Fccvs.hcp competition in colloidal hard-sphere nucleation: On their relative stability, interfacial free energy and nucleation rate
I Sanchez-Burgos, E Sanz, C Vega, JR Espinosa
Physical Chemistry Chemical Physics
(2021)
23