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- Currently displaying 781 - 800 of 30302 publications
Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions
J Chem Theory Comput
(2025)
21
4426
(doi: 10.1021/acs.jctc.4c01631)
A single fibril study reveals that ApoE inhibits the elongation of Aβ42 fibrils in an isoform-dependent manner
Commun Chem
(2025)
8
133
(doi: 10.1038/s42004-025-01524-z)
Machine Learning Force Fields for Modelling Reactions at Complex Interfaces
(2025)
(doi: 10.17863/CAM.127112)
Breaking Supercapacitor Symmetry Enhances Electrochemical Carbon Dioxide Capture.
Journal of the American Chemical Society
(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)
Regulating Biocondensates within Synthetic Cells via Segregative Phase Separation
ACS nano
(2025)
19
20550
(doi: 10.1021/acsnano.4c18971)
Supramolecular Conductive Hydrogels With Homogeneous Ionic and Electronic Transport
Advanced Materials
(2025)
37
e2415687
(doi: 10.1002/adma.202415687)
Proton-driven lithium separation using alkali-templated coordination cages
Chem
(2025)
11
102556
(doi: 10.1016/j.chempr.2025.102556)
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
e70012
(doi: 10.1002/appl.70012)
Chalcogen Vacancies Rule Charge Recombination in Pnictogen Chalcohalide Solar-Cell Absorbers
(2025)
(doi: 10.48550/arxiv.2504.18089)
Nanosecond structural evolution in shocked coesite
Science Advances
(2025)
11
eads3139
(doi: 10.1126/sciadv.ads3139)
Development, uncertainty quantification, and reduction of a dimethyl sulfide oxidation mechanism
(2025)
(doi: 10.17863/CAM.121397)
Dome-like pressure-temperature phase diagram of the cooperative Jahn–Teller distortion in NaNiO2
J Phys Condens Matter
(2025)
37
205401
(doi: 10.1088/1361-648X/adcb0e)
Cultivating Future Materials: Artificial Symbiosis for Bulk Production of Bacterial Cellulose Composites
(2025)
(doi: 10.1101/2025.04.23.650277)
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)
Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
(2025)
(doi: 10.7554/elife.104238.2)
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)
High-performance training and inference for deep equivariant interatomic potentials
(2025)
(doi: 10.48550/arxiv.2504.16068)