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- Currently displaying 3561 - 3580 of 30846 publications
Improved torque estimator for condensed-phase quasicentroid molecular dynamics
The Journal of Chemical Physics
(2022)
157
174108
(doi: 10.1063/5.0129482)
General Analytical Nuclear Forces and Molecular Potential Energy Surface from Full Configuration Interaction Quantum Monte Carlo
J Chem Theory Comput
(2022)
18
7233
(doi: 10.1021/acs.jctc.2c00440)
Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)
(2022)
Frémy’s Salt as a Low-Persistence Hyperpolarization Agent: Efficient Dynamic Nuclear Polarization Plus Rapid Radical Scavenging
J Am Chem Soc
(2022)
144
20680
(doi: 10.1021/jacs.2c07960)
Effect of backbone flexibility on covalent template-directed synthesis of linear oligomers
Organic & Biomolecular Chemistry
(2022)
20
8285
(doi: 10.1039/d2ob01627c)
Real-time bioelectronic sensing of environmental contaminants.
Nature
(2022)
611
548
(doi: 10.1038/s41586-022-05356-y)
Selective Inhibition of Bruton?s Tyrosine Kinase by a Designed Covalent Ligand Leads to Potent Therapeutic Efficacy in Blood Cancers Relative to Clinically Used Inhibitors
ACS pharmacology & translational science
(2022)
5
1156
(doi: 10.1021/acsptsci.2c00163)
Tuning paradigm of external stimuli driven electronic, optical and magnetic properties in hybrid perovskites and metalorganic complexes br
Materials Today
(2022)
60
183
(doi: 10.1016/j.mattod.2022.09.008)
Supramolecular template-directed synthesis of triazole oligomers
Chemical science
(2022)
13
13085
(doi: 10.1039/d2sc04155c)
Low-frequency acoustic irradiation coupled photocatalytic degradation of dye pollutant using LaNi0.5Co0.5O3/g-C3N4 nanocatalyst
Journal of the Taiwan Institute of Chemical Engineers
(2022)
140
104570
(doi: 10.1016/j.jtice.2022.104570)
Combining Epidemiology and Biophysics in Drug Repurposing for Dementia
(2022)
(doi: 10.17863/CAM.94731)
Modeling the Microscopic Origins of Active Transport
(2022)
461
Influence of the Alkyl Side Chain Length on the Assembly and Thermochromic Solid-State Properties in Symmetric and Asymmetric Monoalkoxynaphthalene–Naphthalimide Donor–Acceptor Dyads
Crystal Growth & Design
(2022)
22
7363
(doi: 10.1021/acs.cgd.2c00977)
Nanotextured La0.95Ce0.05MnO3/GCE assemblage for ultrasensitive and precise electrochemical detection of arsenic (III) at neutral pH
Surfaces and Interfaces
(2022)
34
102359
(doi: 10.1016/j.surfin.2022.102359)
Detailed dynamics of discrete Gaussian semiflexible chains with arbitrary stiffness along the contour
Journal of Chemical Physics
(2022)
157
164904
(doi: 10.1063/5.0112951)
Synthesis of pyrrothiamine, a novel thiamine analogue, and evaluation of derivatives as potent and selective inhibitors of pyruvate dehydrogenase.
Organic & biomolecular chemistry
(2022)
20
8855
(doi: 10.1039/D2OB01819E)
Modified Poly(Heptazine Imides): Minimizing H<sub>2</sub>O<sub>2</sub> Decomposition to Maximize Oxygen Reduction.
ACS Applied Materials & Interfaces
(2022)
14
49820
(doi: 10.1021/acsami.2c14872)
In situ Investigation of the Oxidation of a Phospholipid Monolayer by Reactive Oxygen Species (ROS)
Biophysical Journal
(2022)
122
2007
(doi: 10.1016/j.bpj.2022.10.040)
Photothermal Aerogel Beads Based on Polysaccharides: Controlled Fabrication and Hybrid Applications in Solar-Powered Interfacial Evaporation, Water Remediation, and Soil Enrichment
ACS Applied Materials and Interfaces
(2022)
14
50266
(doi: 10.1021/acsami.2c16634)
