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- Currently displaying 2121 - 2140 of 29200 publications
Understanding the Sensing Mechanism of ZnO Nanoparticles through Identifying Intrinsic Defects
– The Journal of Physical Chemistry C
(2022)
126,
17720
(doi: 10.1021/acs.jpcc.2c05210)
The effect of pulling and twisting forces on chameleon sequence peptides
(2022)
(doi: 10.26434/chemrxiv-2022-pr7wg)
Single and double deprotonation/dearomatization of the N,S-donor pyridinophane ligand in ruthenium complexes
– Dalton transactions (Cambridge, England : 2003)
(2022)
51,
14734
(doi: 10.1039/d2dt02219b)
Intracellular FUS protein accumulation leads to cytoskeletal, organelle and cellular homeostasis perturbations
(2022)
(doi: 10.1101/2022.10.04.510756)
Chemical Probe-Based Nanopore Sequencing to Selectively Assess the RNA Modifications.
– ACS chemical biology
(2022)
17,
2704
(doi: 10.1021/acschembio.2c00221)
DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theory
– Journal of Chemical Physics
(2022)
157,
134701
(doi: 10.1063/5.0102645)
Alternating one-phase and two-phase crystallization mechanisms in octahedral patchy colloids
– The Journal of Chemical Physics
(2022)
157,
134501
(doi: 10.1063/5.0101529)
H-bond cooperativity: polarisation effects on secondary amides.
– Chemical Science
(2022)
13,
11863
(doi: 10.1039/d2sc04271a)
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation.
– Journal of cheminformatics
(2022)
14,
68
(doi: 10.1186/s13321-022-00646-z)
Understanding Lithium-ion Dynamics in Single-ion and Salt-in-polymer Perfluoropolyethers and Polyethyleneglycol Electrolytes using Solid-state NMR
(2022)
(doi: 10.26434/chemrxiv-2022-trln6)
Optimisation of Gaussian process regressions of molecular potential energy surfaces
(2022)
(doi: 10.17863/CAM.94172)
Iodine-Oxidized Diene-Based Rubbers as Anti-icing and Deicing Polymer Coatings.
– Langmuir
(2022)
38,
12382
(doi: 10.1021/acs.langmuir.2c02164)
Importance-sampling FCIQMC: Solving weak sign-problem systems
– The 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
– Journal of the American Chemical Society
(2022)
144,
18195
(doi: 10.1021/jacs.2c08752)
Molecular dynamics investigation of the long wavelength dielectric response of classical dipolar liquids using Bloch function methods
(2022)
(doi: 10.17863/CAM.96521)
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)