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  • Currently displaying 4161 - 4180 of 29959 publications
Author(s)
Publication title
Journal Name
Publication year
A full configuration interaction quantum Monte Carlo study of ScO, TiO, and VO molecules.
T Jiang, Y Chen, NA Bogdanov, E Wang, A Alavi, J Chen
The Journal of chemical physics
(2021)
154
Nature of Enhanced Brønsted Acidity Induced by Extraframework Aluminum in an Ultrastabilized Faujasite Zeolite: An In Situ NMR Study
B Mezari, PCMM Magusin, SMT Almutairi, EA Pidko, EJM Hensen
Journal of Physical Chemistry C
(2021)
125
Surface Chirality Influences Molecular Rotation upon Desorption.
SC Matysik, DJ Wales, SJ Jenkins
Phys Rev Lett
(2021)
126
Comparative study of single-atom gold and iridium on CeO2{111}
CJ Owen, SJ Jenkins
Journal of Chemical Physics
(2021)
154
Modelling Mullins effect induced by chain delamination and reattachment
D Qian, F Meng
Polymer
(2021)
222
G392E neuroserpin causing the dementia FENIB is secreted from cells but is not synaptotoxic.
T Ingwersen, C Linnenberg, E D'Acunto, S Temori, I Paolucci, D Wasilewski, B Mohammadi, J Kirchmair, RC Glen, E Miranda, M Glatzel, G Galliciotti
Scientific reports
(2021)
11
Crystal structure prediction for benzene using basin-hopping global optimization
A Banerjee, D Jasrasaria, SP Niblett, DJ Wales
J Phys Chem A
(2021)
125
Porous Covalent Organic Nanotubes and Toroids: A Carbon Nanotube Analogue
R Banerjee, K Koner, S Karak, S Kandambeth, S Karak, N Thomas, L Leanza, C Perego, L Pesce, R Capelli, M Moun, M Bhakar, TG Ajithkumar, G Pavan
(2021)
Multi-task Bayesian Optimization of Chemical Reactions
K Felton, D Wigh, A Lapkin
(2021)
Antibody Affinity Governs the Inhibition of SARS-CoV-2 Spike/ACE2 Binding in Patient Serum.
S Fiedler, MA Piziorska, V Denninger, AS Morgunov, A Ilsley, AY Malik, MM Schneider, SRA Devenish, G Meisl, V Kosmoliaptsis, A Aguzzi, H Fiegler, TPJ Knowles
ACS Infectious Diseases
(2021)
7
Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis
D Gasperini, SE Neale, MF Mahon, SA Macgregor, RL Webster
ACS catalysis
(2021)
11
Critical assessment of protein intrinsic disorder prediction
M Necci, D Piovesan, CAID Predictors, DisProt Curators, SCE Tosatto
Nature Methods
(2021)
18
Population control bias and importance sampling in full configuration interaction quantum Monte Carlo
K Ghanem, N Liebermann, A Alavi
Physical Review B
(2021)
103
Orientation Analysis of Sum Frequency Generation Spectra of Di-chain Phospholipids: Effect of the Second Acyl Chain
AP Fellows, MTL Casford, PB Davies
Aip Advances
(2021)
11
Recognition with Macrocycles and Interlocked Systems
A Docker, PD Beer
(2021)
A biosensor to gauge protein homeostasis resilience differences in the nucleus compared to cytosol of mammalian cells
CB Raeburn, A Ormsby, NS Moily, D Cox, S Ebbinghaus, A Dickson, G McColl, DM Hatters
(2021)
Cartooning the Data Champions at the University of Cambridge
C Castle
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Host-Guest Induced Peptide Folding with Sequence-Specific Structural Chirality
DE Clarke, G Wu, C Wu, OA Scherman
Journal of the American Chemical Society
(2021)
143
Hyperphosphorylated tau self-assembles into amorphous aggregates eliciting TLR4-dependent inflammatory responses
D Klenerman, J Meng, Y Zhang, D Saman, S De, J Sang, K Jiang, J Humphrey, L Julian, E Hidari, RA Floto, S Lee, C Bryant, J Benesch, Y Ye
(2021)
Cages meet gels: Smart materials with dual porosity
I Jahović, Y-Q Zou, S Adorinni, J Nitschke, S Marchesan
Matter
(2021)
47