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- Currently displaying 2001 - 2020 of 30949 publications
Excited State-Specific CASSCF Theory for the Torsion of Ethylene.
J Chem Theory Comput
(2024)
20
5105
(doi: 10.1021/acs.jctc.4c00212)
Magnetic structure and properties of the honeycomb antiferromagnet [Na(OH2)3]Mn(NCS)3
Physical Chemistry Chemical Physics
(2024)
26
15844
(doi: 10.1039/d4cp01265h)
Cubic double perovskites host noncoplanar spin textures
npj Quantum Materials
(2024)
9
48
(doi: 10.1038/s41535-024-00650-6)
Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene
(2024)
(doi: 10.48550/arxiv.2406.03795)
Machine-learning structural reconstructions for accelerated point defect calculations
npj Computational Materials
(2024)
10
121
(doi: 10.1038/s41524-024-01303-9)
Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment
Chemical reviews
(2024)
124
8014
(doi: 10.1021/acs.chemrev.3c00902)
Thermodynamically consistent flocking: from discontinuous to continuous transitions
New Journal of Physics
(2024)
26
063006
(doi: 10.1088/1367-2630/ad4dd6)
Capturing carbon dioxide from air with charged-sorbents.
Nature
(2024)
630
654
(doi: 10.1038/s41586-024-07449-2)
Stimulating Creativity Through Cognitive Symmetry Breaking: Tagorean Theory of Sustainable Human Development
(2024)
(doi: 10.35542/osf.io/pcxhb)
Quasi-Solid-State Electrolyte Induced by Metallic MoS2 for Lithium-Sulfur Batteries.
ACS nano
(2024)
18
16041
(doi: 10.1021/acsnano.4c05002)
Energy Landscapes and Structural Ensembles of Glucagon-like Peptide-1 Monomers.
J Phys Chem B
(2024)
128
5601
(doi: 10.1021/acs.jpcb.4c01794)
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
(2024)
(doi: 10.26434/chemrxiv-2024-kwnrh)
Energy landscapes for the quantum approximate optimization algorithm
Physical Review A (PRA)
(2024)
109
062602
(doi: 10.1103/physreva.109.062602)
Nanomedicine Targeting Cuproplasia in Cancer: Labile Copper Sequestration Using Polydopamine Particles Blocks Tumor Growth In Vivo through Altering Metabolism and Redox Homeostasis.
ACS Appl Mater Interfaces
(2024)
16
29844
(doi: 10.1021/acsami.4c04336)
Effects of aminosterols and berberine on the structural and dynamical properties of biological membranes against the action of misfolded protein oligomers
FEBS OPEN BIO
(2024)
14
356
Kinetics and thermodynamics characterization of serum amyloid A (SAA) protein
FEBS OPEN BIO
(2024)
14
104
Design of a bispecific antibody to block ironendocytosis-driven metastasis
FEBS OPEN BIO
(2024)
14
285
Advancing AI protein structure prediction and design: From amino acid “bones” to new era of all-atom “flesh”
Green Carbon
(2024)
2
209
Secondary pathways cause the proliferation of amyloid aggregates of medin, an aortic medial amyloid peptide associated with cerebral amyloid angiopathy
FEBS OPEN BIO
(2024)
14
503
Optimizing performance characteristics of antibodies for single-molecule quantitative bioimaging
FEBS OPEN BIO
(2024)
14
56