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  • Currently displaying 1341 - 1360 of 29855 publications
Author(s)
Publication title
Journal Name
Publication year
Mold: a LAMMPS package to compute interfacial free energies and nucleation rates
AR Tejedor, I Sanchez-Burgos, E Sanz, C Vega, FJ Blas, RL Davidchack, ND Pasquale, J Ramirez, JR Espinosa
Journal of Open Source Software
(2024)
9
Tertiary Amides as Directing Groups for Enantioselective C−H Amination using Ion‐Paired Rhodium Complexes
KJ Paterson, A Dahiya, BD Williams, RJ Phipps
Angewandte Chemie (International ed. in English)
(2024)
63
Partial and complete wetting of droplets of active Brownian particles.
F Turci, RL Jack, NB Wilding
Soft Matter
(2024)
20
Unraveling metastable Markovian open quantum systems
CA Brown, K Macieszczak, RL Jack
Physical Review A
(2024)
109
A Relationship between the Structures and Neurotoxic Effects of Aβ Oligomers Stabilized by Different Metal Ions
S Chia, RL Cataldi, FS Ruggeri, R Limbocker, I Condado-Morales, K Pisani, A Possenti, S Linse, TPJ Knowles, J Habchi, B Mannini, M Vendruscolo
ACS Chem Neurosci
(2024)
15
Continuous flow synthesis enabling reaction discovery
AI Alfano, J García-Lacuna, OM Griffiths, SV Ley, M Baumann
Chemical Science
(2024)
15
An Upstream G-Quadruplex DNA Structure Can Stimulate Gene Transcription.
Y Chen, A Simeone, L Melidis, SM Cuesta, D Tannahill, S Balasubramanian
ACS Chem Biol
(2024)
19
Targeted protein editing with an antibody-based system
M Vendruscolo, O Rimon, J Konc, M Ali, VR Chowdhury, P Sormanni, G Bernardes
(2024)
Dissecting the Architectural Properties of Chromatin and the Influence of the H1 Linker Histone on Chromatin Regulation
C Phillips
(2024)
Rapidly convergent quantum Monte Carlo using a Chebyshev projector
Z Zhao, M-A Filip, AJW Thom
(2024)
Interchange of Weyl Points in the Phonon Bands of a Half-Metal Alloy
SJ Jenkins, GP Srivastava
Physical Review B
(2024)
109
High-Capacity, Cooperative CO2 Capture in a Diamine-Appended Metal-Organic Framework through a Combined Chemisorptive and Physisorptive Mechanism
Z Zhu, H Tsai, ST Parker, J-H Lee, Y Yabuuchi, HZH Jiang, Y Wang, S Xiong, AC Forse, B Dinakar, A Huang, C Dun, PJ Milner, A Smith, P Guimarães Martins, KR Meihaus, JJ Urban, JA Reimer, JB Neaton, JR Long
J Am Chem Soc
(2024)
146
Chemistry-albedo feedbacks offset up to a third of forestation's CO<sub>2</sub> removal benefits.
J Weber, JA King, NL Abraham, DP Grosvenor, CJ Smith, YM Shin, P Lawrence, S Roe, DJ Beerling, MV Martin
Science
(2024)
383
Competition between lanes and transient jammed clusters in driven binary mixtures.
H Yu, RL Jack
Physical Review E
(2024)
109
Variational Umbrella Seeding for Calculating Nucleation Barriers
W Gispen, JR Espinosa, E Sanz, C Vega, M Dijkstra
(2024)
Influence of structural colour on the photoprotective mechanism in the gametophyte phase of the red alga Chondrus crispus
AG Fleitas, S Sardar, MM Arnould-Pétré, M Murace, S Vignolini, J Brodie, G Lanzani, C D'Andrea
Journal of The Royal Society Interface
(2024)
21
The interplay of solvation and polarization effects on ion pairing in nanoconfined electrolytes
K Fong, B Sumic, N O'Neill, C Schran, C Grey, A Michaelides
(2024)
Excited state-specific CASSCF theory for the torsion of ethylene
S Saade, HGA Burton
(2024)
Misfolded protein oligomers: mechanisms of formation, cytotoxic effects, and pharmacological approaches against protein misfolding diseases.
DJ Rinauro, F Chiti, M Vendruscolo, R Limbocker
Mol Neurodegener
(2024)
19
Jahn-Teller Distortions and Phase Transitions in LiNiO2: Insights from Ab Initio Molecular Dynamics and Variable-Temperature X-ray Diffraction.
AR Genreith-Schriever, A Alexiu, GS Phillips, CS Coates, LAV Nagle-Cocco, JD Bocarsly, FN Sayed, SE Dutton, CP Grey
Chemistry of materials : a publication of the American Chemical Society
(2024)
36