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  • Currently displaying 2741 - 2760 of 30357 publications
Author(s)
Publication title
Journal Name
Publication year
Dynamic mechanostereochemical switching of a co-conformationally flexible [2]catenane controlled by specific ionic guests
Y Yao, YC Tse, SK-M Lai, Y Shi, K-H Low, HY Au-Yeung
(2023)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
Nicy, JA Joseph, R Collepardo-Guevara, DJ Wales
(2023)
Conformational changes in protein kinase A along its activation cycle are rooted in the folding energetics of cyclic-nucleotide binding domains.
AK Chau, K Bracken, L Bai, D Pham, LL Good, RA Maillard
J Biol Chem
(2023)
299
TREXIO: A file format and library for quantum chemistry.
E Posenitskiy, VG Chilkuri, A Ammar, M Hapka, K Pernal, R Shinde, EJ Landinez Borda, C Filippi, K Nakano, O Kohulák, S Sorella, P de Oliveira Castro, W Jalby, PL Ríos, A Alavi, A Scemama
J Chem Phys
(2023)
158
Design and Frabication of Optical Li+ Sensors for Application in Li-ion Batteries
H Francis
(2023)
Finding Excited-state Minimum Energy Crossing Points on a Budget: Non-self-consistent Tight-Binding Methods
P Pracht, C Bannwarth
Journal of Physical Chemistry Letters
(2023)
14
Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory
A Marie, HGA Burton
J Phys Chem A
(2023)
127
A Hybrid-DFT Study of Intrinsic Point Defects in $MX_2$ ($M$=Mo, W; $X$=S, Se) Monolayers
A Akkoush, Y Litman, M Rossi
(2023)
A Photoredox Reaction for the Selective Modification of 5-Carboxycytosine in DNA.
BJ Mortishire-Smith, SM Becker, A Simeone, L Melidis, S Balasubramanian
J Am Chem Soc
(2023)
145
Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering.
M Purdy, JR Walton, KJ Fallon, DTW Toolan, P Budden, W Zeng, MK Corpinot, D-K Bučar, L van Turnhout, R Friend, A Rao, H Bronstein
Journal of the American Chemical Society
(2023)
145
Expanding Transition Metal-Mediated Bioorthogonal Decaging to Include C-C Bond Cleavage Reactions.
GM Dal Forno, E Latocheski, A Beatriz Machado, J Becher, L Dunsmore, AL St John, BL Oliveira, CD Navo, G Jiménez-Osés, R Fior, JB Domingos, GJL Bernardes
J Am Chem Soc
(2023)
145
Trapping of Photoluminescent Kinetic Intermediates During High-Concentration Synthesis of Non-Emissive Metal-Organic Frameworks
A Halder, D Bain, T Pitt, Z Shi, J Oktawiec, J-H Lee, S Tsangari, M Ng, J Fuentes-Rivera, A Forse, T Runcevski, D Muller, A Musser, P Milner
(2023)
Glucagon-like peptide 1 aggregates into low-molecular-weight oligomers off-pathway to fibrillation.
E Přáda Brichtová, M Krupová, P Bouř, V Lindo, A Gomes Dos Santos, SE Jackson
Biophysical Journal
(2023)
122
High-density volumetric super-resolution microscopy
S Daly, JF Fernandes, E Bruggeman, A Handa, R Peters, S Benaissa, B Zhang, JS Beckwith, EW Sanders, RR Sims, D Klenerman, SJ Davis, K O’Holleran, SF Lee
(2023)
Diffusion-assisted displacive transformation in Yttrium-doped Sb2Te3 phase change materials
K Li, B Liu, J Zhou, SR Elliott, Z Sun
Acta Materialia
(2023)
249
Characterisation of neurodegenerative diseases derived protein aggregates using improved single-molecule pull-down
Y Zhang
(2023)
Early detection of COPD patients’ symptoms with personal environmental sensors: a remote sensing framework using probabilistic latent component analysis with linear dynamic systems
Ş Kolozali, L Chatzidiakou, R Jones, JK Quint, F Kelly, B Barratt
Neural computing & applications
(2023)
35
AbNatiV: VQ-VAE-based assessment of antibody and nanobody nativeness for hit selection, humanisation, and engineering
A Ramon, M Ali, M Atkinson, A Saturnino, K Didi, C Visentin, S Ricagno, X Xu, M Greenig, P Sormanni
(2023)
The Intermetallic Reactivity Database: Compiling Chemical Pressure and Electronic Metrics toward Materials Design and Discovery
JS Van Buskirk, JD Kraus, DC Fredrickson
Chemistry of Materials
(2023)
35
The Structural Stability Limit of Layered Lithium Transition Metal Oxides Due to Oxygen Release at High State of Charge and Its Dependence on the Nickel Content
S Oswald, HA Gasteiger
Journal of The Electrochemical Society
(2023)
170