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- Currently displaying 4081 - 4100 of 29858 publications
Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants
J Chem Phys
(2021)
154
164509
(doi: 10.1063/5.0044833)
Observations of speciated isoprene nitrates in Beijing: implications for isoprene chemistry
Atmospheric Chemistry and Physics
(2021)
21
6315
(doi: 10.5194/acp-21-6315-2021)
LAG3 is not expressed in human and murine neurons and does not modulate α-synucleinopathies
(2021)
(doi: 10.1101/2021.04.25.441302)
Creating custom synthetic genomes in Escherichia coli with REXER and GENESIS
Nature protocols
(2021)
16
2345
(doi: 10.1038/s41596-020-00464-3)
G-quadruplexes are transcription factor binding hubs in human chromatin
Genome Biol
(2021)
22
117
(doi: 10.1186/s13059-021-02324-z)
Insights Into the Electric Double-Layer Capacitance of the Two-Dimensional Electrically Conductive Metal-Organic Framework Cu3(HHTP)2
(2021)
G392E neuroserpin causing the dementia FENIB is secreted from cells but is not synaptotoxic.
Sci Rep
(2021)
11
8766
(doi: 10.1038/s41598-021-88090-1)
Comparative Study of Single-Atom Gold and Iridium on CeO2{111}
The Journal of Chemical Physics
(2021)
154
164703
(doi: 10.1063/5.0048953)
A full configuration interaction quantum Monte Carlo study of ScO, TiO, and VO molecules
J Chem Phys
(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)
Modelling Mullins effect induced by chain delamination and reattachment
Polymer
(2021)
222
123608
Surface Chirality Influences Molecular Rotation upon Desorption.
Physical Review Letters
(2021)
126
166101
Porous Covalent Organic Nanotubes and Toroids: A Carbon Nanotube Analogue
(2021)
(doi: 10.21203/rs.3.rs-360336/v1)
Crystal structure prediction for benzene using basin-hopping global optimization
The Journal of Physical Chemistry A
(2021)
125
3776
(doi: 10.1021/acs.jpca.1c00903)
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)
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)