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  • Currently displaying 3001 - 3020 of 29858 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
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
B1-B2 phase transition of ferropericlase at planetary interior conditions
F Della Pia, D Alfè
Physical Review B
(2022)
105
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
Nature communications
(2022)
13
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
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
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
Structural insights into TRPV2 activation by small molecules.
G Lopes Bernardes, R pumroy, A Protopopova, T Fricke, I Lange, F Haug, P Nguyen, P gallo, B sousa, V yarov-yarovoy, A leffler, V moiseenkova-bell
Nature communications
(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
Molecular crystals with a sole bearing contact: structural classes and statistical data
AM Banaru, AD Bond, SM Aksenov, DA Banaru
Zeitschrift für Kristallographie - Crystalline Materials
(2022)
237
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
Cellulose-Based Scattering Enhancers for Light Management Applications
H Yang, G Jacucci, L Schertel, S Vignolini
ACS Nano
(2022)
16
Hydrogen Atom Transfer Driven Enantioselective Minisci Reaction of Alcohols
AC Colgan, RSJ Proctor, DC Gibson, P Chuentragool, ASK Lahdenperä, K Ermanis, RJ Phipps
Angew Chem Int Ed Engl
(2022)
61
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
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
International journal of molecular sciences
(2022)
23
Can molecular simulations reliably compare homogeneous and heterogeneous ice nucleation?
D Atherton, A Michaelides, SJ Cox
J Chem Phys
(2022)
156
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
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
A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines
AJ Peel, A Terzopoulos, RB Jethwa, D Choudhury, H-C Niu, AD Bond, J Slaughter, DS Wright
Chemical Science
(2022)
13