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- Currently displaying 2401 - 2420 of 29308 publications
Direct calculation of the planar NaCl-aqueous solution interfacial free energy at the solubility limit
(2023)
(doi: 10.48550/arXiv.2208.08322)
Understanding surface reactivity, local structure, and lithium-metal dendrite initiation in garnet solid electrolytes
(2023)
(doi: 10.17863/CAM.100640)
Sequence-based prediction of pH-dependent protein solubility using CamSol.
Briefings in bioinformatics
(2023)
24
bbad004
(doi: 10.1093/bib/bbad004)
Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory
Annu Rev Phys Chem
(2023)
74
1
Supplementary material to "Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model"
(2023)
Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model
(2023)
(doi: 10.5194/acp-2023-42)
Nanosecond dynamics of solitons in confined Bose-Einstein condensates
(2023)
(doi: 10.26434/chemrxiv-2023-8k3sq)
Accelerated Chemical Reaction Optimization using Multi-Task Learning
(2023)
(doi: 10.26434/chemrxiv-2023-stqrt)
Versatile Biosynthetic Approach to Regioselective Enzyme Patterning for Direct Bioelectrocatalysis Application
Advanced Materials Technologies
(2023)
8
2201324
(doi: 10.1002/admt.202201324)
Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT
Journal of Physical Chemistry C
(2023)
127
3032
(doi: 10.1021/acs.jpcc.2c07263)
Furan-based inhibitors of pyruvate dehydrogenase: SAR study, biochemical evaluation and computational analysis.
Organic & Biomolecular Chemistry
(2023)
21
1755
(doi: 10.1039/d2ob02272a)
A Deep Potential model for liquid-vapor equilibrium and cavitation rates
of water
(2023)
Excited states, symmetry breaking, and unphysical solutions in state-specific CASSCF theory
(2023)
(doi: 10.48550/arxiv.2301.11731)
Hallucinating functional protein sequences.
Nature Biotechnology
(2023)
41
1073
(doi: 10.1038/s41587-022-01634-2)
Convergence of Møller-Plesset perturbation theory for excited reference states
(2023)
(doi: 10.48550/arxiv.2301.10539)
Correction: Thiamine analogues as inhibitors of pyruvate dehydrogenase and discovery of a thiamine analogue with non-thiamine related antiplasmodial activity.
RSC Med Chem
(2023)
14
190
(doi: 10.17863/CAM.91782)
Accurate Energy Barriers for Catalytic Reaction Pathways: An Automatic Training Protocol for Machine Learning Force Fields
(2023)
(doi: 10.48550/arxiv.2301.09931)
Disintegrate (DIN) Theory Enabling Precision Engineering of Proteins.
ACS Cent Sci
(2023)
9
137
(doi: 10.1021/acscentsci.2c01455)
