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Currently displaying 4561 - 4580 of 29607 publications

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)

(doi: 10.48550/arxiv.2103.02068)

Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models: A GPCR Case Study

M Thomas, R Smith, NM O’Boyle, CD Graaf, A Bender

(2021)

(doi: 10.26434/chemrxiv.14138147.v1)

Fragment-based computational design of antibodies targeting structured epitopes

MA Rangel, A Bedwell, E Costanzi, R Taylor, R Russo, GJL Bernardes, S Ricagno, J Frydman, M Vendruscolo, P Sormanni

(2021)

2021.03.02.433360

(doi: 10.1101/2021.03.02.433360)

Graphene oxide induced enhancement of light-driven micromotor with biocompatible fuels

Q Yang, H Xu, H Wen, H Zhao, X Liu, Y Cai, H Wang, R Dong

Applied Materials Today

(2021)

100943

(doi: 10.1016/j.apmt.2021.100943)

Ni-Catalyzed Cross-Electrophile Coupling of Aryl Triflates with Thiocarbonates via C-O/C-O Bond Cleavage

Z Zhu, Y Gong, W Tong, W Xue, H Gong

Org Lett

(2021)

2158

(doi: 10.1021/acs.orglett.1c00313)

Real-time bioprocess monitoring using a mid-infrared fibre-optic sensor

F Alimagham, J Winterburn, B Dolman, PM Domingues, F Everest, M Platkov, S Basov, G Izakson, A Katzir, SR Elliott, T Hutter

Biochemical Engineering Journal

(2021)

167

107889

(doi: 10.1016/j.bej.2020.107889)

Fluorescence emission enhancement of a T-shaped benzimidazole with a mechanically-interlocked ‘suit’

H Xu, M-D Lin, J Yuan, B Zhou, Y Mu, Y Huo, K Zhu

Chemical communications (Cambridge, England)

(2021)

3239

(doi: 10.1039/d0cc07471c)

Rapid Recombination by Cadmium Vacancies in CdTe

SR Kavanagh, A Walsh, DO Scanlon

(2021)

(doi: 10.48550/arxiv.2103.00984)

Controlled self-assembly of natural proteins into hierarchically structured functional materials

A Kamada

(2021)

(doi: 10.17863/CAM.73731)

Adsorption and cracking of propane by zeolites of different pore size

F Berger, M Rybicki, J Sauer

Journal of Catalysis

(2021)

395

117

(doi: 10.1016/j.jcat.2020.12.008)

Enhancement of infrared emissivity by the hierarchical microstructures from the wing scales of butterfly Rapala dioetas

C Lou, S An, R Yang, H Zhu, Q Shen, M Jiang, B Fu, P Tao, C Song, T Deng, W Shang

APL Photonics

(2021)

036101

(doi: 10.1063/5.0039079)

Intercomparison of the representations of the atmospheric chemistry of pre-industrial methane and ozone in earth system and other global chemistry-transport models

RG Derwent, DD Parrish, AT Archibald, M Deushi, SE Bauer, K Tsigaridis, D Shindell, LW Horowitz, MAH Khan, DE Shallcross

Atmospheric Environment

(2021)

248

118248

(doi: 10.1016/j.atmosenv.2021.118248)

Making electrocatalytic materials from molecular catalysts

H Li, N Plumeré

Chem

(2021)

549

(doi: 10.1016/j.chempr.2021.02.010)