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- Currently displaying 2961 - 2980 of 29657 publications
Importance-sampling FCIQMC: Solving weak sign-problem systems.
Journal of Chemical Physics
(2022)
157
124111
(doi: 10.1063/5.0107317)
Strategies That Utilize Ion Pairing Interactions to Exert Selectivity Control in the Functionalization of C–H Bonds
J Am Chem Soc
(2022)
144
18195
(doi: 10.1021/jacs.2c08752)
Hydrodynamics of Droplet Sorting in Asymmetric Acute Junctions
Micromachines
(2022)
13
1640
(doi: 10.3390/mi13101640)
Enhancing solar fuel synthesis via complementary approaches: round-the-clock operation and heat utilisation
(2022)
(doi: 10.17863/CAM.94521)
Replication of a synthetic oligomer using chameleon base-pairs.
Chem Commun (Camb)
(2022)
58
11005
(doi: 10.1039/d2cc04580j)
Reaction of Thiosulfate Dehydrogenase with a Substrate Mimic Induces Dissociation of the Cysteine Heme Ligand Giving Insights into the Mechanism of Oxidative Catalysis
Journal of the American Chemical Society
(2022)
144
18296
(doi: 10.1021/jacs.2c06062)
The importance of electronic correlations in exploring the exotic phase diagram of layered Li$_x$MnO$_2$
(2022)
Protein structural transitions critically transform the network connectivity and viscoelasticity of RNA-binding protein condensates but RNA can prevent it
Nature Communications
(2022)
(doi: 10.1038/s41467-022-32874-0)
Surface reduction in lithium- and manganese-rich layered cathodes for lithium ion batteries drives voltage decay
J Mater Chem A Mater
(2022)
10
21941
(doi: 10.1039/d2ta04876k)
Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2
Npj Quantum Materials
(2022)
7
98
(doi: 10.1038/s41535-022-00508-9)
Multilevel simulation of hard-sphere mixtures.
Journal of Chemical Physics
(2022)
157
124109
(doi: 10.1063/5.0102875)
Modulation of FLT3-ITD and CDK9 in acute myeloid leukaemia cells by novel proteolysis targeting chimera (PROTAC)
Eur J Med Chem
(2022)
243
114792
(doi: 10.1016/j.ejmech.2022.114792)
Lightning-induced chemistry on tidally-locked Earth-like exoplanets
Monthly Notices of the Royal Astronomical Society
(2022)
517
2383
(doi: 10.1093/mnras/stac2722)
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
(2022)
Chemical bonds in collagen rupture selectively under tensile stress
(2022)
(doi: 10.1101/2022.09.23.509192)
Publisher's Note: "A classical model for three-body interactions in aqueous ionic systems" [J. Chem. Phys. 157, 024101 (2022)].
Journal of Chemical Physics
(2022)
157
129903
(doi: 10.1063/5.0123910)
Metal Coordination Effects on the Photophysics of Dipyrrinato Photosensitizers
(2022)
A review of biomedical datasets relating to drug discovery: a knowledge graph perspective
Brief Bioinform
(2022)
23
bbac404
(doi: 10.1093/bib/bbac404)
An antibody scanning method for the detection of α-synuclein oligomers in the serum of Parkinson's disease patients
Chemical Science
(2022)
13
13815
(doi: 10.1039/d2sc00066k)
