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  • Currently displaying 2761 - 2780 of 30386 publications
Author(s)
Publication title
Journal Name
Publication year
Osmolyte-Induced Protein Stability Changes Explained by Graph Theory
M Miotto, N Warner, G Ruocco, GG Tartaglia, OA Scherman, E Milanetti
(2023)
High-physiological and supra-physiological 1,2-13C2 glucose focal supplementation to the traumatised human brain
MG Stovell, DJ Howe, EP Thelin, I Jalloh, A Helmy, MR Guilfoyle, P Grice, A Mason, S Giorgi-Coll, CN Gallagher, MP Murphy, DK Menon, TA Carpenter, PJ Hutchinson, KL Carpenter
Journal of Cerebral Blood Flow and Metabolism
(2023)
43
Evolution of Multicomponent [Pd2ABCD] Cages
K Wu, E Benchimol, A Baksi, G Clever
(2023)
In-situ iron corrosion in brine using TEM
S Agrawal, MH Sk, RM Langford, SM Clarke
MRS Advances
(2023)
8
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)
A hybrid stochastic configuration interaction-coupled cluster approach for multireference systems
M-A Filip, AJW Thom
The Journal of chemical physics
(2023)
158
Folded Spectrum VQE : A quantum computing method for the calculation of molecular excited states
LC Tazi, AJW Thom
(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
The Journal of biological chemistry
(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
The Journal of chemical physics
(2023)
158
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
Design and Frabication of Optical Li+ Sensors for Application in Li-ion Batteries
H Francis
(2023)
Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory
A Marie, HGA Burton
J Phys Chem A
(2023)
127
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
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)
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)