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  • Currently displaying 2001 - 2020 of 30949 publications
Author(s)
Publication title
Journal Name
Publication year
Excited State-Specific CASSCF Theory for the Torsion of Ethylene.
S Saade, HGA Burton
J Chem Theory Comput
(2024)
20
Magnetic structure and properties of the honeycomb antiferromagnet [Na(OH2)3]Mn(NCS)3
M Geers, TB Gill, AD Burnett, EN Bassey, O Fabelo, L Cañadillas-Delgado, MJ Cliffe
Physical Chemistry Chemical Physics
(2024)
26
Cubic double perovskites host noncoplanar spin textures
JAM Paddison, H Zhang, J Yan, MJ Cliffe, MA McGuire, S-H Do, S Gao, MB Stone, D Dahlbom, K Barros, CD Batista, AD Christianson
npj Quantum Materials
(2024)
9
Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene
IC Popoola, BX Shi, F Berger, A Zen, D Alfè, A Michaelides, YS Al-Hamdani, .
(2024)
Machine-learning structural reconstructions for accelerated point defect calculations
I Mosquera-Lois, SR Kavanagh, AM Ganose, A Walsh
npj Computational Materials
(2024)
10
Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment
AV Solov'yov, AV Verkhovtsev, NJ Mason, RA Amos, I Bald, G Baldacchino, B Dromey, M Falk, J Fedor, L Gerhards, M Hausmann, G Hildenbrand, M Hrabovský, S Kadlec, J Kočišek, F Lépine, S Ming, A Nisbet, K Ricketts, L Sala, T Schlathölter, AEH Wheatley, IA Solov'yov
Chemical reviews
(2024)
124
Thermodynamically consistent flocking: from discontinuous to continuous transitions
T Agranov, RL Jack, ME Cates, É Fodor
New Journal of Physics
(2024)
26
Capturing carbon dioxide from air with charged-sorbents.
H Li, ME Zick, T Trisukhon, M Signorile, X Liu, H Eastmond, S Sharma, TL Spreng, J Taylor, JW Gittins, C Farrow, SA Lim, V Crocellà, PJ Milner, AC Forse
Nature
(2024)
630
Stimulating Creativity Through Cognitive Symmetry Breaking: Tagorean Theory of Sustainable Human Development
S Ghosh
(2024)
Quasi-Solid-State Electrolyte Induced by Metallic MoS2 for Lithium-Sulfur Batteries.
Z Li, ZJ Yang, J Moloney, CP Yu, M Chhowalla
ACS nano
(2024)
18
Energy Landscapes and Structural Ensembles of Glucagon-like Peptide-1 Monomers.
AD Keith, EP Brichtová, JG Barber, DJ Wales, SE Jackson, K Röder
J Phys Chem B
(2024)
128
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
X Liu, J Choi, Z Xu, C Grey, S Fleischmann, A Forse
(2024)
Energy landscapes for the quantum approximate optimization algorithm
C Boy, D Wales
Physical Review A (PRA)
(2024)
109
Nanomedicine Targeting Cuproplasia in Cancer: Labile Copper Sequestration Using Polydopamine Particles Blocks Tumor Growth In Vivo through Altering Metabolism and Redox Homeostasis.
J Bonet-Aleta, M Encinas-Gimenez, M Oi, AT Pezacki, V Sebastian, A de Martino, A Martín-Pardillos, P Martin-Duque, JL Hueso, CJ Chang, J Santamaria
ACS Appl Mater Interfaces
(2024)
16
Effects of aminosterols and berberine on the structural and dynamical properties of biological membranes against the action of misfolded protein oligomers
S Errico, G Lucchesi, D Odino, R Cascella, C Capitini, M Vendruscolo, M Zasloff, F Chiti
FEBS OPEN BIO
(2024)
14
Kinetics and thermodynamics characterization of serum amyloid A (SAA) protein
H Nadwa, A Santucci, D Braconi, F Brotzakis, M Vendruscolo
FEBS OPEN BIO
(2024)
14
Design of a bispecific antibody to block ironendocytosis-driven metastasis
MC Marques, AR Coelho, R Rodriguez, GJL Bernardes
FEBS OPEN BIO
(2024)
14
Advancing AI protein structure prediction and design: From amino acid “bones” to new era of all-atom “flesh”
S Fang, R Wei, Y Cui, L Su
Green Carbon
(2024)
2
Secondary pathways cause the proliferation of amyloid aggregates of medin, an aortic medial amyloid peptide associated with cerebral amyloid angiopathy
VR Chowdhury, RI Horne, AG Diaz, M Vendruscolo
FEBS OPEN BIO
(2024)
14
Optimizing performance characteristics of antibodies for single-molecule quantitative bioimaging
JC Breiter, C Loiseau, JS Beckwith, R Andrews, B Fu, PJ Magill, SF Lee, M Vendruscolo
FEBS OPEN BIO
(2024)
14