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- Currently displaying 3861 - 3880 of 31132 publications
Single and double deprotonation/dearomatization of the N,S-donor pyridinophane ligand in ruthenium complexes.
Dalton Trans
(2022)
51
14734
(doi: 10.1039/d2dt02219b)
DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theory
The Journal of Chemical Physics
(2022)
157
134701
(doi: 10.1063/5.0102645)
H-bond cooperativity: polarisation effects on secondary amides
Chem Sci
(2022)
13
11863
(doi: 10.1039/d2sc04271a)
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)
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)
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)
Chemical Probe-Based Nanopore Sequencing to Selectively Assess the RNA Modifications
ACS Chem Biol
(2022)
17
2704
(doi: 10.1021/acschembio.2c00221)
PRO-DRUG NANOPARTICLE LOADED SUPRAMOLECULAR HYDROGELS FOR DRUG DELIVERY TO IDH1 WILD-TYPE GLIOBLASTOMA
NEURO-ONCOLOGY
(2022)
24
1
Molecular dynamics investigation of the long wavelength dielectric response of classical dipolar liquids using Bloch function methods
(2022)
(doi: 10.17863/CAM.96521)
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.
Journal of Chemical Physics
(2022)
157
124111
(doi: 10.1063/5.0107317)
Optimisation of Gaussian process regressions of molecular potential energy surfaces
(2022)
(doi: 10.17863/CAM.94172)
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)
Replication of a synthetic oligomer using chameleon base-pairs.
Chemical communications (Cambridge, England)
(2022)
58
11005
(doi: 10.1039/d2cc04580j)
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)
Enhancing solar fuel synthesis via complementary approaches: round-the-clock operation and heat utilisation
(2022)
(doi: 10.17863/CAM.94521)
Hydrodynamics of Droplet Sorting in Asymmetric Acute Junctions
Micromachines (Basel)
(2022)
13
1640
(doi: 10.3390/mi13101640)
Reaction of Thiosulfate Dehydrogenase with a Substrate Mimic Induces Dissociation of the Cysteine Heme Ligand Giving Insights into the Mechanism of Oxidative Catalysis
J Am Chem Soc
(2022)
144
18296
(doi: 10.1021/jacs.2c06062)
