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- Currently displaying 4161 - 4180 of 29959 publications
A full configuration interaction quantum Monte Carlo study of ScO, TiO, and VO molecules.
The Journal of chemical physics
(2021)
154
164302
(doi: 10.1063/5.0046464)
Nature of Enhanced Brønsted Acidity Induced by Extraframework Aluminum in an Ultrastabilized Faujasite Zeolite: An In Situ NMR Study
Journal of Physical Chemistry C
(2021)
125
9050
(doi: 10.1021/acs.jpcc.1c00356)
Surface Chirality Influences Molecular Rotation upon Desorption.
Phys Rev Lett
(2021)
126
166101
Comparative study of single-atom gold and iridium on CeO2{111}
Journal of Chemical Physics
(2021)
154
164703
(doi: 10.1063/5.0048953)
Modelling Mullins effect induced by chain delamination and reattachment
Polymer
(2021)
222
123608
G392E neuroserpin causing the dementia FENIB is secreted from cells but is not synaptotoxic.
Scientific reports
(2021)
11
8766
(doi: 10.1038/s41598-021-88090-1)
Crystal structure prediction for benzene using basin-hopping global optimization
J Phys Chem A
(2021)
125
3776
(doi: 10.1021/acs.jpca.1c00903)
Porous Covalent Organic Nanotubes and Toroids: A Carbon Nanotube Analogue
(2021)
(doi: 10.21203/rs.3.rs-360336/v1)
Antibody Affinity Governs the Inhibition of SARS-CoV-2 Spike/ACE2 Binding in Patient Serum.
ACS Infectious Diseases
(2021)
7
2362
(doi: 10.1021/acsinfecdis.1c00047)
Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis
ACS catalysis
(2021)
11
5452
(doi: 10.1021/acscatal.1c01133)
Critical assessment of protein intrinsic disorder prediction
Nature Methods
(2021)
18
472
(doi: 10.1038/s41592-021-01117-3)
Population control bias and importance sampling in full configuration interaction quantum Monte Carlo
Physical Review B
(2021)
103
155135
(doi: 10.1103/PhysRevB.103.155135)
Orientation Analysis of Sum Frequency Generation Spectra of Di-chain Phospholipids: Effect of the Second Acyl Chain
Aip Advances
(2021)
11
045119
(doi: 10.1063/5.0034885)
A biosensor to gauge protein homeostasis resilience differences in the nucleus compared to cytosol of mammalian cells
(2021)
2021.04.19.440383
(doi: 10.1101/2021.04.19.440383)
Cartooning the Data Champions at the University of Cambridge
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2021)
(doi: 10.17863/CAM.69416)
Host-Guest Induced Peptide Folding with Sequence-Specific Structural Chirality
Journal of the American Chemical Society
(2021)
143
6323
(doi: 10.1021/jacs.1c00342)
Hyperphosphorylated tau self-assembles into amorphous aggregates eliciting TLR4-dependent inflammatory responses
(2021)
(doi: 10.21203/rs.3.rs-374549/v1)
Cages meet gels: Smart materials with dual porosity
Matter
(2021)
47
2123
(doi: 10.1016/j.matt.2021.04.018)