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  • Currently displaying 4021 - 4040 of 29644 publications
Author(s)
Publication title
Journal Name
Publication year
Multi-stage ensemble-learning-based model fusion for surface ozone simulations: A focus on CMIP6 models.
Z Sun, AT Archibald
Environmental science and ecotechnology
(2021)
8
Fcc vs. 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 : PCCP
(2021)
23
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to Interfaces.
S Shepherd, J Lan, DM Wilkins, V Kapil
J Phys Chem Lett
(2021)
12
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
Defect-Dependent Corrugation in Graphene
FL Thiemann, P Rowe, A Zen, EA Müller, A Michaelides
Nano letters
(2021)
21
New Route to Battery Grade NaPF6 for Na-Ion Batteries: Expanding the Accessible Concentration
D Wright, C Grey, D Ould
Angewandte Chemie International Edition
(2021)
Microplastics and anthropogenic fibre concentrations in lakes reflect surrounding land use
A Tanentzap, S Cottingham, J Fonvielle, I Riley, L Walker, S Woodman, D Kontou, C Pichler, E Reisner, L Lebreton
PLoS biology
(2021)
19
In silico approaches in organ toxicity hazard assessment: Current status and future needs for predicting heart, kidney and lung toxicities.
A Bassan, VM Alves, A Amberg, LT Anger, L Beilke, A Bender, A Bernal, MTD Cronin, J-H Hsieh, C Johnson, R Kemper, M Mumtaz, L Neilson, M Pavan, A Pointon, J Pletz, P Ruiz, DP Russo, Y Sabnis, R Sandhu, M Schaefer, L Stavitskaya, DT Szabo, J-P Valentin, D Woolley, C Zwickl, GJ Myatt
Computational toxicology (Amsterdam, Netherlands)
(2021)
20
Deformable and robust core-shell protein microcapsules templated by liquid-liquid phase-separated microdroplets
Y Xu, Y Shen, TCT Michaels, KN Baumann, D Vigolo, Q Peter, Y Lu, KL Saar, D Vella, H Zhu, B Li, H Yang, APM Guttenplan, M Rodriguez‐Garcia, D Klenerman, TPJ Knowles
Advanced Materials Interfaces
(2021)
8
Multicomponent alkene azidoarylation by anion-mediated dual catalysis
A Bunescu, Y Abdelhamid, MJ Gaunt
Nature
(2021)
598
Combating small-molecule aggregation with machine learning
K Lee, A Yang, Y-C Lin, D Reker, GJL Bernardes, T Rodrigues
Cell Reports Physical Science
(2021)
2
The binding of the small heat-shock protein αB-crystallin to fibrils of α-synuclein is driven by entropic forces.
T Scheidt, JA Carozza, CC Kolbe, FA Aprile, O Tkachenko, MMJ Bellaiche, G Meisl, QAE Peter, TW Herling, S Ness, M Castellana-Cruz, JLP Benesch, M Vendruscolo, CM Dobson, P Arosio, TPJ Knowles
Proceedings of the National Academy of Sciences of the United States of America
(2021)
118
Machine learning potentials for complex aqueous systems made simple
C Schran, FL Thiemann, P Rowe, EA Müller, O Marsalek, A Michaelides
Proceedings of the National Academy of Sciences of the United States of America
(2021)
118
Ageing related states of complex network formation in areca nuts
KV Chinmaya, M Ghosh, S Ghosh
(2021)
A modular toolset for electrogenetics
JM Lawrence, Y Yin, P Bombelli, A Scarampi, M Storch, LT Wey, A Climent-Catala, PI team, GS Baldwin, D O’Hare, CJ Howe, JZ Zhang, TE Ouldridge, R Ledesma-Amaro
(2021)
Mechanical adaptation of brachiopod shells via hydration-induced structural changes
J Ihli, AS Schenk, S Rosenfeldt, K Wakonig, M Holler, G Falini, L Pasquini, E Delacou, J Buckman, TS Glen, T Kress, EHR Tsai, DG Reid, MJ Duer, M Cusack, F Nudelman
Nat Commun
(2021)
12
Lanthanide-based single-molecule magnets: A rational design by chemical intuition
DC Izuogu
(2021)
On the “Matsubara heating” of overtone intensities and Fermi splittings
RL Benson, SC Althorpe
The Journal of chemical physics
(2021)
155
In silico approaches in organ toxicity hazard assessment: current status and future needs in predicting liver toxicity.
A Bassan, VM Alves, A Amberg, LT Anger, S Auerbach, L Beilke, A Bender, MTD Cronin, KP Cross, J-H Hsieh, N Greene, R Kemper, MT Kim, M Mumtaz, T Noeske, M Pavan, J Pletz, DP Russo, Y Sabnis, M Schaefer, DT Szabo, J-P Valentin, J Wichard, D Williams, D Woolley, C Zwickl, GJ Myatt
Computational Toxicology
(2021)
20
Myths of high-throughput experimentation and automation in chemistry
MJ Gaunt, JM Janey, DM Schultz, T Cernak
Chem
(2021)
7