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  • Currently displaying 5081 - 5100 of 31149 publications
Author(s)
Publication title
Journal Name
Publication year
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
TEH Allen, AJ Wedlake, MN Grayson, AM Middleton, M Folia, M Baltazar, P Piechota, E Gelžinytė, JM Goodman, PJ Russell, P Kukic, S Gutsell
Toxicology Letters
(2021)
350
The Independent Volcanic Eruption Source Parameter Archive (IVESPA, version 1.0): A new observational database to support explosive eruptive column model validation and development
TJ Aubry, S Engwell, C Bonadonna, G Carazzo, S Scollo, AR Van Eaton, IA Taylor, D Jessop, J Eychenne, M Gouhier, LG Mastin, KL Wallace, S Biass, M Bursik, RG Grainger, AM Jellinek, A Schmidt
Journal of Volcanology and Geothermal Research
(2021)
417
Thermodynamic Characterisation of Amyloid Fibrils
KL Callaghan
(2021)
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters.
W Dobrautz, O Weser, NA Bogdanov, A Alavi, G Li Manni
Journal of chemical theory and computation
(2021)
17
Modulating Chalcogen Bonding and Halogen Bonding Sigma‐Hole Donor Atom Potency and Selectivity for Halide Anion Recognition
A Docker, CH Guthrie, H Kuhn, PD Beer
Angewandte Chemie (International ed. in English)
(2021)
60
Thermodynamics and kinetics of crystallisation in deeply supercooled Stillinger-Weber silicon
Y Goswami, VV Vasisht, D Frenkel, PG Debenedetti, S Sastry
(2021)
Visible light photocatalysts from low-grade iron ore: the environmentally benign production of magnetite/carbon (Fe3O4/C) nanocomposites
M Periyasamy, S Sain, E Ghosh, KJ Jenkinson, AEH Wheatley, S Mukhopadhyay, A Kar
Environmental Science and Pollution Research
(2021)
29
The Amyloid-β Pathway in Alzheimer's Disease
H Hampel, J Hardy, K Blennow, C Chen, G Perry, SH Kim, VL Villemagne, P Aisen, M Vendruscolo, T Iwatsubo, CL Masters, M Cho, L Lannfelt, JL Cummings, A Vergallo
Molecular Psychiatry
(2021)
26
Cerebral Microdialysate Metabolite Monitoring using Mid-infrared Spectroscopy.
FC Alimagham, D Hutter, N Marco-García, E Gould, VH Highland, A Huefner, S Giorgi-Coll, MJ Killen, AP Zakrzewska, SR Elliott, KLH Carpenter, PJ Hutchinson, T Hutter
Anal Chem
(2021)
93
High-Throughput Selection and Characterisation of Aptamers on Optical Next-Generation Sequencers.
A Drees, M Fischer
International journal of molecular sciences
(2021)
22
Antibonding-Induced Anomalous Temperature Dependence of the Band Gap in Crystalline Ge2Sb2Te5
Y Huang, J Zhou, L Peng, K Li, SR Elliott, Z Sun
Journal of Physical Chemistry C
(2021)
125
Correlating local structure and sodium storage in hard carbon anodes: insights from pair distribution function analysis and solid-state NMR
JM Stratford, AK Kleppe, DS Keeble, PA Chater, SS Meysami, CJ Wright, J Barker, M-M Titirici, PK Allan, CP Grey
J Am Chem Soc
(2021)
143
Supplementary material to "Wet deposition in the remote western and central Mediterranean as a source of trace metals to surface seawater"
K Desboeufs, F Fu, M Bressac, A Tovar-Sánchez, S Triquet, J-F Doussin, C Giorio, P Chazette, J Disnaquet, A Feron, P Formenti, F Maisonneuve, A Rodríguez-Romero, P Zapf, F Dulac, C Guieu
(2021)
Wet deposition in the remote western and central Mediterranean as a source of trace metals to surface seawater
K Desboeufs, F Fu, M Bressac, A Tovar-Sánchez, S Triquet, J-F Doussin, C Giorio, P Chazette, J Disnaquet, A Feron, P Formenti, F Maisonneuve, A Rodríguez-Romero, P Zapf, F Dulac, C Guieu
(2021)
Evaluating the performance of a clinical genome sequencing program for diagnosis of rare genetic disease, seen through the lens of craniosynostosis.
Z Hyder, E Calpena, Y Pei, RS Tooze, H Brittain, SRF Twigg, D Cilliers, JEV Morton, E McCann, A Weber, LC Wilson, AGL Douglas, R McGowan, A Need, A Bond, ALT Tavares, ERA Thomas, Genomics England Research Consortium, SL Hill, ZC Deans, F Boardman-Pretty, M Caulfield, RH Scott, AOM Wilkie
Genetics in medicine : official journal of the American College of Medical Genetics
(2021)
23
Counterbalancing light absorption and ionic transport losses in the electrolyte for integrated solar water splitting with III–V/Si dual-junctions
M Kölbach, C Özen, O Höhn, D Lackner, M Feifel, FF Abdi, MM May
APPLIED PHYSICS LETTERS
(2021)
119
Automated and Continuous-Flow Platform to Analyze Semiconductor–Metal Complex Hybrid Systems for Photocatalytic CO2 Reduction
CD Sahm, GM Ucoski, S Roy, E Reisner
ACS Catalysis
(2021)
11
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ML Evans, Á Fekete, A Gopakumar, S Gražulis, A Merkys, F Mohamed, C Oses, G Pizzi, G-M Rignanese, M Scheidgen, L Talirz, C Toher, D Winston, R Aversa, K Choudhary, P Colinet, S Curtarolo, D Di Stefano, C Draxl, S Er, M Esters, M Fornari, M Giantomassi, M Govoni, G Hautier, V Hegde, MK Horton, P Huck, G Huhs, J Hummelshøj, A Kariryaa, B Kozinsky, S Kumbhar, M Liu, N Marzari, AJ Morris, A Mostofi, KA Persson, G Petretto, T Purcell, F Ricci, F Rose, M Scheffler, D Speckhard, M Uhrin, A Vaitkus, P Villars, D Waroquiers, C Wolverton, M Wu, X Yang
(2021)
Targeted modulation of protein liquid–liquid phase separation by evolution of amino-acid sequence
SM Lichtinger, A Garaizar, R Collepardo-Guevara, A Reinhardt
PLoS Computational Biology
(2021)
17
Alpha synuclein only forms fibrils in vitro when larger than its critical size of 70 monomers.
SE Sanchez, DR Whiten, G Meisl, FS Ruggeri, E Hidari, D Klenerman
Chembiochem : a European journal of chemical biology
(2021)
22