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- Currently displaying 3321 - 3340 of 30444 publications
Quantum dynamics using path integral coarse-graining.
J Chem Phys
(2022)
157
181102
(doi: 10.1063/5.0120386)
Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
(2022)
(doi: 10.48550/arxiv.2211.04345)
Ligand design induced metal step-flow growth for deeply cyclable multivalent batteries
(2022)
(doi: 10.21203/rs.3.rs-2228461/v1)
A structural biology community assessment of AlphaFold2 applications.
Nature Structural and Molecular Biology
(2022)
29
1056
(doi: 10.1038/s41594-022-00849-w)
Sequence-based Prediction of the Cellular Toxicity Associated with Amyloid Aggregation within Protein Condensates
Biochemistry
(2022)
61
2461
(doi: 10.1021/acs.biochem.2c00499)
Mapping structure heterogeneities and visualizing moisture degradation of perovskite films with nano-focus WAXS
Nat Commun
(2022)
13
6701
(doi: 10.1038/s41467-022-34426-y)
The role of grain boundaries in low-temperature plasticity of olivine revealed by nanoindentation
(2022)
(doi: 10.1002/essoar.10512783.1)
Bio-Electrocatalytic Conversion of Food Waste to Ethylene via Succinic Acid as the Central Intermediate.
ACS Catal
(2022)
12
13360
(doi: 10.1021/acscatal.2c02689)
Carboxysome-inspired electrocatalysis using enzymes for the reduction of CO2 at low concentrations
(2022)
(doi: 10.26434/chemrxiv-2022-l9vp2)
Water-stable porous Al24 Archimedean solids for removal of trace iodine.
Nature communications
(2022)
13
6632
(doi: 10.1038/s41467-022-34296-4)
Hyperbranched Poly(β-amino ester)s (HPAEs) Structure Optimisation for Enhanced Gene Delivery: Non-Ideal Termination Elimination
Nanomaterials (Basel, Switzerland)
(2022)
12
3892
(doi: 10.3390/nano12213892)
General Analytical Nuclear Forces and Molecular Potential Energy Surface from Full Configuration Interaction Quantum Monte Carlo.
Journal of Chemical Theory and Computation
(2022)
18
7233
(doi: 10.1021/acs.jctc.2c00440)
Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath
(2022)
Improved torque estimator for condensed-phase quasicentroid molecular dynamics.
J Chem Phys
(2022)
157
174108
(doi: 10.1063/5.0129482)
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)
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)
Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)
(2022)
Real-time bioelectronic sensing of environmental contaminants.
Nature
(2022)
611
548
(doi: 10.1038/s41586-022-05356-y)
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)