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- Currently displaying 561 - 580 of 29621 publications
Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions.
Journal of Chemical Theory and Computation
(2025)
21
4426
(doi: 10.1021/acs.jctc.4c01631)
Conformational Pruning via the Permutation Invariant Root-Mean-Square Deviation of Atomic Positions
J Chem Inf Model
(2025)
65
4501
(doi: 10.1021/acs.jcim.4c02143)
A single fibril study reveals that ApoE inhibits the elongation of Aβ42 fibrils in an isoform-dependent manner.
Communications Chemistry
(2025)
8
133
(doi: 10.1038/s42004-025-01524-z)
Breaking Supercapacitor Symmetry Enhances Electrochemical Carbon Dioxide Capture.
J Am Chem Soc
(2025)
147
16189
(doi: 10.1021/jacs.5c00999)
Single-molecule profiling of tau aggregates in tauopathies: From test tube to patient
(2025)
(doi: 10.17863/CAM.121423)
Proton-driven lithium separation using alkali-templated coordination cages
Chem
(2025)
11
102556
(doi: 10.1016/j.chempr.2025.102556)
Supramolecular Conductive Hydrogels With Homogeneous Ionic and Electronic Transport.
Adv Mater
(2025)
37
2415687
(doi: 10.1002/adma.202415687)
Protons Accumulate at the Graphene–Water Interface
ACS nano
(2025)
19
17728
(doi: 10.1021/acsnano.5c02053)
Rational Design of Single-Domain Antibodies Targeting the Central Nervous System Neurite Outgrowth Inhibitor Nogo-A
Applied Research
(2025)
4
ARTN e70012
(doi: 10.1002/appl.70012)
Chalcogen Vacancies Rule Charge Recombination in Pnictogen Chalcohalide Solar-Cell Absorbers
(2025)
(doi: 10.48550/arxiv.2504.18089)
Dome-like pressure-temperature phase diagram of the cooperative Jahn–Teller distortion in NaNiO2
Journal of Physics Condensed Matter
(2025)
37
205401
(doi: 10.1088/1361-648x/adcb0e)
Development, uncertainty quantification, and reduction of a dimethyl sulfide oxidation mechanism
(2025)
(doi: 10.17863/CAM.121397)
Solid-State Nuclear Magnetic Resonance Investigations of the Lithium- and Sodium-Storage Mechanisms of Pyrolytic Phosphorus-Carbon Composites
ChemSusChem
(2025)
18
e202500103
(doi: 10.1002/cssc.202500103)
Understanding and Optimising Carbon
Disorder for High-Performance
Supercapacitors
(2025)
(doi: 10.17863/CAM.121585)
High-performance training and inference for deep equivariant interatomic potentials
(2025)
Selective Block Copolymerization of Lactide and Methyl Methacrylate with Cationic Indium Catalysts: Exploring the Influence of Noncovalent Ligand Interactions
ACS Catalysis
(2025)
15
7588
(doi: 10.1021/acscatal.5c00092)
Sol–Gel-Derived Transparent Amino-Modified UiO-66 MOF Porous Films as Promising Photonic Platforms
ACS Applied Optical Materials
(2025)
3
1088
(doi: 10.1021/acsaom.5c00062)
Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
(2025)
(doi: 10.7554/elife.104238.2)
Discovery of potent, selective, and orally bioavailable small molecule inhibitors of YTHDC1 for the treatment of MYC-driven cancers
Cancer Research
(2025)
85
453
(doi: 10.1158/1538-7445.AM2025-453)