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  • Currently displaying 2841 - 2860 of 30138 publications
Author(s)
Publication title
Journal Name
Publication year
Accelerated Chemical Reaction Optimization using Multi-Task Learning
C Taylor, K Felton, D Wigh, M Jeraal, R Grainger, G Chessari, C Johnson, A Lapkin
(2023)
Supplementary material to "Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model"
BA Cala, S Archer-Nicholls, J Weber, NL Abraham, PT Griffiths, L Jacob, YM Shin, LE Revell, M Woodhouse, AT Archibald
(2023)
Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model
BA Cala, S Archer-Nicholls, J Weber, NL Abraham, PT Griffiths, L Jacob, YM Shin, LE Revell, M Woodhouse, AT Archibald
(2023)
Nanosecond dynamics of solitons in confined Bose-Einstein condensates
V Johny, S Ghosh
(2023)
Versatile Biosynthetic Approach to Regioselective Enzyme Patterning for Direct Bioelectrocatalysis Application
H Lee, SS Reginald, IS Chang
Advanced Materials Technologies
(2023)
8
Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT
BB Sarma, J Jelic, D Neukum, DE Doronkin, X Huang, F Studt, J-D Grunwaldt
Journal of Physical Chemistry C
(2023)
127
Furan-based inhibitors of pyruvate dehydrogenase: SAR study, biochemical evaluation and computational analysis.
F Leeper, AHY Chan, TCS Ho, DR Parle
Organic & Biomolecular Chemistry
(2023)
21
Cation disorder dominates the defect chemistry of high-voltage LiMn1.5Ni0.5O4 (LMNO) spinel cathodes
J Cen, B Zhu, S Kavanagh, A Squires, D Scanlon
(2023)
Excited states, symmetry breaking, and unphysical solutions in state-specific CASSCF theory
A Marie, HGA Burton
(2023)
A Deep Potential model for liquid-vapor equilibrium and cavitation rates of water
I Sanchez-Burgos, MC Muniz, JR Espinosa, AZ Panagiotopoulos
(2023)
Strategies for Conditional Regulation of Proteins.
K Nadendla, GG Simpson, J Becher, T Journeaux, M Cabeza-Cabrerizo, GJL Bernardes
JACS Au
(2023)
3
Hallucinating functional protein sequences
D Belanger, LJ Colwell
Nature Biotechnology
(2023)
41
Correction: Thiamine analogues as inhibitors of pyruvate dehydrogenase and discovery of a thiamine analogue with non-thiamine related antiplasmodial activity
AHY Chan, I Fathoni, TCS Ho, KJ Saliba, FJ Leeper
RSC medicinal chemistry
(2023)
14
Convergence of Møller-Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(2023)
Chem-map profiles drug binding to chromatin in cells.
Z Yu, J Spiegel, L Melidis, WWI Hui, X Zhang, A Radzevičius, S Balasubramanian
Nature Biotechnology
(2023)
41
Disintegrate (DIN) Theory Enabling Precision Engineering of Proteins.
P Chauhan, R V, M Kumar, R Molla, U V B, V Rai
ACS central science
(2023)
9
Roadmap on chalcogenide photonics
B Gholipour, SR Elliott, MJ Müller, M Wuttig, DW Hewak, BE Hayden, Y Li, SS Jo, R Jaramillo, RE Simpson, J Tominaga, Y Cui, A Mandal, BJ Eggleton, M Rochette, M Rezaei, I Alamgir, HM Shamim, R Kormokar, A Anjum, GT Zeweldi, TS Karnik, J Hu, SO Kasap, G Belev, A Reznik
Journal of Physics: Photonics
(2023)
5
Molecular Dynamics with Chemical Accuracy-Alkane Adsorption in Acidic Zeolites
F Berger, M Rybicki, J Sauer
ACS Catalysis
(2023)
13
Cooperative Initiation in a Dinuclear Indium Complex for CO2 Epoxide Copolymerization.
H-J Jung, K Nyamayaro, HA Baalbaki, C Goonesinghe, P Mehrkhodavandi
Inorganic Chemistry
(2023)
62
Soluble Diphenylhexatriene Dimers for Intramolecular Singlet Fission with High Triplet Energy
O Millington, S Montanaro, A Leventis, A Sharma, SA Dowland, N Sawhney, KJ Fallon, W Zeng, DG Congrave, AJ Musser, A Rao, H Bronstein
Journal of the American Chemical Society
(2023)
145