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  • Currently displaying 4041 - 4060 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
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
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)
Defect-Dependent Corrugation in Graphene.
FL Thiemann, P Rowe, A Zen, EA Müller, A Michaelides
Nano Letters
(2021)
21
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
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
(2021)
20
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
Proc Natl Acad Sci U S A
(2021)
118
Multicomponent alkene azidoarylation by anion-mediated dual catalysis.
A Bunescu, Y Abdelhamid, MJ Gaunt
Nature
(2021)
598
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
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
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)
Ageing related states of complex network formation in areca nuts
KV Chinmaya, M Ghosh, S Ghosh
(2021)
On the "Matsubara heating" of overtone intensities and Fermi splittings.
RL Benson, SC Althorpe
The Journal of Chemical Physics
(2021)
155
Lanthanide-based single-molecule magnets: A rational design by chemical intuition
DC Izuogu
(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
Nature Communications
(2021)
12
Myths of high-throughput experimentation and automation in chemistry
MJ Gaunt, JM Janey, DM Schultz, T Cernak
Chem
(2021)
7
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 (Amsterdam, Netherlands)
(2021)
20
Impacts of Hydroperoxymethyl Thioformate on the Global Marine Sulfur Budget
MAH Khan, TJ Bannan, R Holland, DE Shallcross, AT Archibald, E Matthews, A Back, J Allan, H Coe, P Artaxo, CJ Percival
ACS Earth and Space Chemistry
(2021)
5