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  • Currently displaying 2361 - 2380 of 29636 publications
Author(s)
Publication title
Journal Name
Publication year
Folded Spectrum VQE : A quantum computing method for the calculation of molecular excited states
LC Tazi, AJW Thom
(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
A hybrid stochastic configuration interaction–coupled cluster approach for multireference systems
M-A Filip, AJW Thom
The Journal of Chemical Physics
(2023)
158
In-situ iron corrosion in brine using TEM
S Agrawal, MH Sk, RM Langford, SM Clarke
MRS Advances
(2023)
8
Evolution of Multicomponent [Pd2ABCD] Cages
K Wu, E Benchimol, A Baksi, G Clever
(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
Journal of Biological Chemistry
(2023)
299
Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods.
P Pracht, C Bannwarth
J Phys Chem Lett
(2023)
14
Design and Frabication of Optical Li+ Sensors for Application in Li-ion Batteries
H Francis
(2023)
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
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)
Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory
A Marie, HGA Burton
The journal of physical chemistry. 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
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
Journal of the American Chemical Society
(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
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)
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)
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
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
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 Comput Appl
(2023)
35