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  • Currently displaying 3021 - 3040 of 29252 publications
Author(s)
Publication title
Journal Name
Publication year
Towards quantifying the uncertainty in in silico predictions using Bayesian learning
TEH Allen, AM Middleton, JM Goodman, PJ Russell, P Kukic, S Gutsell
Computational Toxicology
(2022)
23
B1-B2 phase transition of ferropericlase at planetary interior conditions
F Della Pia, D Alfè
Physical Review B
(2022)
105
The 3-phenyl-1,4,2-dioxazol-5-one (PDO) Electrolyte Additive for Li(Ni0.6Mn0.2Co0.2)O2 and Li(Ni0.8Mn0.1Co0.1)O2 Lithium-Ion Cells
D Ouyang, W Song, K Oh, KW Ahn, DS Hall, T Hynes, J Wang, J Dahn
Journal of the Electrochemical Society
(2022)
169
Molecular crystals with a sole bearing contact: structural classes and statistical data
AM Banaru, AD Bond, SM Aksenov, DA Banaru
Zeitschrift Fur Kristallographie Crystalline Materials
(2022)
237
Automated Molecular Cluster Growing for Explicit Solvation by Efficient Force Field and Tight Binding Methods.
S Spicher, C Plett, P Pracht, A Hansen, S Grimme
Journal of Chemical Theory and Computation
(2022)
18
Hidden Heterometallic Interaction Emerging from Resonant Inelastic X‑ray Scattering in Luminescent Tb–Pt Molecules
T Yoshida, A Shabana, DC Izuogu, K Fuku, T Sato, H Zhang, Y Yamamoto, J Kamata, H Ohmagari, M Hasegawa, G Cosquer, S Takaishi, T Kaneko, T Uruga, Y Iwasawa, M Yamashita
The Journal of Physical Chemistry C
(2022)
126
A systems genomics approach to uncover patient-specific pathogenic pathways and proteins in ulcerative colitis
J Brooks-Warburton, D Modos, P Sudhakar, M Madgwick, JP Thomas, B Bohar, D Fazekas, A Zoufir, O Kapuy, M Szalay-Beko, B Verstockt, LJ Hall, A Watson, M Tremelling, M Parkes, S Vermeire, A Bender, SR Carding, T Korcsmaros
Nat Commun
(2022)
13
Structural insights into TRPV2 activation by small molecules
RA Pumroy, AD Protopopova, TC Fricke, IU Lange, FM Haug, PT Nguyen, PN Gallo, BB Sousa, G Lopes Bernardes, V Yarov-Yarovoy, A Leffler, VY Moiseenkova-Bell
Nature Communications
(2022)
13
Pillar[4]arene[1]thioarenes: Synthesis and Host–Guest Binding Properties
T Limpanuparb, T Bunchuay, A Khanthong, K Khamphaijun, A Ruengsuk, A Docker, J Tantirungrotechai
Synlett
(2022)
33
Hydrogen Atom Transfer Driven Enantioselective Minisci Reaction of Alcohols
AC Colgan, RSJ Proctor, DC Gibson, P Chuentragool, ASK Lahdenperä, K Ermanis, RJ Phipps
Angewandte Chemie
(2022)
134
Hydrogen Atom Transfer Driven Enantioselective Minisci Reaction of Alcohols
AC Colgan, RSJ Proctor, DC Gibson, P Chuentragool, ASK Lahdenperä, K Ermanis, RJ Phipps
Angewandte Chemie International Edition
(2022)
61
Cellulose-based Scattering Enhancers for Light Management Applications
H Yang, G Jacucci, L Schertel, S Vignolini
ACS nano
(2022)
16
Control of carbon monoxide dehydrogenase orientation by site-specific immobilization enables direct electrical contact between enzyme cofactor and solid surface
SS Reginald, H Lee, N Fazil, B Sharif, M Lee, MJ Kim, H Beyenal, IS Chang
Communications biology
(2022)
5
Targeting Cell Death Mechanism Specifically in Triple Negative Breast Cancer Cell Lines.
L-L Pruteanu, C Braicu, D Módos, M-A Jurj, L-Z Raduly, O Zănoagă, L Magdo, R Cojocneanu, S Paşca, C Moldovan, AI Moldovan, AB Ţigu, E Gurzău, L Jäntschi, A Bender, I Berindan-Neagoe
Int J Mol Sci
(2022)
23
Interfaces between Ceramic and Polymer Electrolytes: A Comparison of Oxide and Sulfide Solid Electrolytes for Hybrid Solid-State Batteries
DS Jolly, DLR Melvin, IDR Stephens, RH Brugge, SD Pu, J Bu, Z Ning, GO Hartley, P Adamson, PS Grant, A Aguadero, PG Bruce
Inorganics
(2022)
10
Can molecular simulations reliably compare homogeneous and heterogeneous ice nucleation?
D Atherton, A Michaelides, SJ Cox
Journal of Chemical Physics
(2022)
156
Innenrücktitelbild: Hierarchical Self‐Assembly of Adhesive and Conductive Gels with Anion‐Coordinated Triple Helicate Junctions (Angew. Chem. 22/2022)
Y Gao, J Zhao, Z Huang, TK Ronson, F Zhao, Y Wang, B Li, C Feng, Y Yu, Y Cheng, D Yang, X Yang, B Wu
Angewandte Chemie
(2022)
134
Inside Back Cover: Hierarchical Self‐Assembly of Adhesive and Conductive Gels with Anion‐Coordinated Triple Helicate Junctions (Angew. Chem. Int. Ed. 22/2022)
Y Gao, J Zhao, Z Huang, TK Ronson, F Zhao, Y Wang, B Li, C Feng, Y Yu, Y Cheng, D Yang, X Yang, B Wu
Angewandte Chemie International Edition
(2022)
61
Rectification in a mixture of active and passive particles subject to a ratchet potential
J-F Derivaux, RL Jack, ME Cates
Journal of Statistical Mechanics: Theory and Experiment
(2022)
2022
Kinetic profiling of therapeutic strategies for inhibiting the formation of amyloid oligomers.
TCT Michaels, AJ Dear, SIA Cohen, M Vendruscolo, TPJ Knowles
The Journal of Chemical Physics
(2022)
156