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- Currently displaying 921 - 940 of 30057 publications
Proton-driven lithium separation using alkali-templated coordination cages
(2025)
(doi: 10.26434/chemrxiv-2025-j8t2v)
FCIQMC-CASPT2 with Imaginary-Time-Averaged Wave Functions.
J Chem Theory Comput
(2025)
21
1029
(doi: 10.1021/acs.jctc.4c01462)
Effect of Exact Exchange on the Energy Landscape in Self-Consistent Field Theory
Journal of Chemical Theory and Computation
(2025)
21
1203
(doi: 10.1021/acs.jctc.4c01404)
Knotting a tetrahedral cage mechanically locks guests inside
(2025)
(doi: 10.26434/chemrxiv-2025-njv4t)
Understanding the Mechanism of Electrochemical CO2 Capture by Supercapacitive Swing Adsorption.
ACS nano
(2025)
19
4242
(doi: 10.1021/acsnano.4c10931)
Data supporting the North Atlantic Climate System Integrated Study (ACSIS) programme, including atmospheric composition; oceanographic and sea-ice observations (2016-2022); and output from ocean, atmosphere, land, and sea-ice models (1950-2050)
Earth System Science Data
(2025)
17
135
(doi: 10.5194/essd-17-135-2025)
A global multidimensional analysis of air pollution in land, sea, and air transport cabins reveals substantial health risks
One Earth
(2025)
8
101156
(doi: 10.1016/j.oneear.2024.11.010)
Chemisorption and physisorption of alcohols on iron(III) oxide-terminated surfaces from nonpolar solvents
Journal of colloid and interface science
(2025)
685
15
(doi: 10.1016/j.jcis.2025.01.086)
Structural Elucidation of Na2/3NiO2, A Dynamically Stabilised Cathode Phase with Ni Charge- and Na Vacancy- Ordering
(2025)
(doi: 10.26434/chemrxiv-2025-3k58h)
Virtual Integration of Satellite and In-situ Observation Networks (VISION) v1.0: In-Situ Observations Simulator (ISO_simulator)
Geoscientific Model Development
(2025)
18
181
(doi: 10.5194/gmd-18-181-2025)
Compositional and functional diversity of minimal primitive coacervates in a nucleic acid-peptide world
(2025)
Deletion of the moeA gene in Flavobacterium IR1 drives structural color shift from green to blue and alters polysaccharide metabolism
(2025)
(doi: 10.1101/2025.01.13.632688)
Transient interactions between the fuzzy coat and the cross-beta core of brain-derived A-beta 42 filaments
Science advances
(2025)
11
eadr7008
(doi: 10.1126/sciadv.adr7008)
Metal-ligand redox in layered oxide cathodes for Li-ion batteries
Joule
(2025)
9
101775
(doi: 10.1016/j.joule.2024.10.007)
A triad of somatic mutagenesis converges in self-reactive B cells to cause a virus-induced autoimmune disease.
Immunity
(2025)
58
412
(doi: 10.1016/j.immuni.2024.12.011)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies.
Faraday Discussions
(2025)
256
120
(doi: 10.1039/d4fd00107a)
Discovering trends in big data: general discussion.
Faraday Discussions
(2025)
256
520
(doi: 10.1039/d4fd90063d)
Discovering synthesis targets: general discussion.
Faraday Discussions
(2025)
256
639
(doi: 10.1039/d4fd90064b)
Optical materials discovery and design with federated databases and machine learning.
Faraday discussions
(2025)
256
459
(doi: 10.1039/d4fd00092g)
Discovering structure–property correlations: general discussion
Faraday Discussions
(2025)
256
373
(doi: 10.1039/d4fd90062f)