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Currently displaying 4601 - 4620 of 30152 publications

Deep Learning-Based Conformal Prediction of Toxicity.

J Zhang, U Norinder, F Svensson

Journal of chemical information and modeling

(2021)

2648

(doi: 10.1021/acs.jcim.1c00208)

Tribochemistry, Mechanical Alloying, Mechanochemistry: What is in a Name?

AAL Michalchuk, EV Boldyreva, AM Belenguer, F Emmerling, VV Boldyrev

Front Chem

(2021)

685789

(doi: 10.3389/fchem.2021.685789)

Side-Chain Polarity Modulates the Intrinsic Conformational Landscape of Model Dipeptides

D Chakraborty, A Banerjee, DJ Wales

The Journal of Physical Chemistry B

(2021)

125

5809

(doi: 10.1021/acs.jpcb.1c02412)

Targeting the protease of West Nile virus

S Voss, C Nitsche

RSC Med Chem

(2021)

1262

(doi: 10.1039/d1md00080b)

Seasonal variations and the influence of ventilation rates on IAQ: A case study of five low-energy London apartments

S Stamp, E Burman, C Shrubsole, L Chatzidiakou, D Mumovic, M Davies

Indoor and Built Environment

(2021)

607

(doi: 10.1177/1420326x211017175)

Photodehydrogenation of ethanol over cu2o/tio2 heterostructures

C Xing, Y Zhang, Y Liu, X Wang, J Li, PR Martínez-Alanis, MC Spadaro, P Guardia, J Arbiol, J Llorca, A Cabot

Nanomaterials (Basel)

(2021)

1399

(doi: 10.3390/nano11061399)

Motion of water monomers reveals a kinetic barrier to ice nucleation on graphene.

A Tamtögl, E Bahn, M Sacchi, J Zhu, DJ Ward, AP Jardine, SJ Jenkins, P Fouquet, J Ellis, W Allison

Nat Commun

(2021)

3120

(doi: 10.1038/s41467-021-23226-5)

Long-ranged correlations in large deviations of local clustering.

J Dolezal, RL Jack

Physical review. E

(2021)

103

052132

(doi: 10.1103/PhysRevE.103.052132)

Imparting Ion Selectivity to Covalent Organic Framework Membranes Using de Novo Assembly for Blue Energy Harvesting

S Chen, C Zhu, W Xian, X Liu, X Liu, Q Zhang, S Ma, Q Sun

Journal of the American Chemical Society

(2021)

143

9415

(doi: 10.1021/jacs.1c02090)

InChI version 1.06: now more than 99.99% reliable

JM Goodman, I Pletnev, P Thiessen, E Bolton, SR Heller

Journal of cheminformatics

(2021)

(doi: 10.1186/s13321-021-00517-z)

Structural Evolution of Layered Manganese Oxysulfides during Reversible Electrochemical Lithium Insertion and Copper Extrusion

S Dey, D Zeng, P Adamson, J Cabana, S Indris, J Lu, SJ Clarke, CP Grey

Chemistry of materials : a publication of the American Chemical Society

(2021)

3989

(doi: 10.1021/acs.chemmater.1c00375)

Deformable and robust core-shell protein microcapsules templated by liquid-liquid phase separated microdroplets

Y Xu, Y Shen, TCT Michaels, KN Baumann, D Vigolo, Q Peter, Y Lu, KL Saar, D Vella, H Zhu, B Li, H Yang, APM Guttenplan, M Rodriguez-Garcia, D Klenerman, TPJ Knowles

(2021)

(doi: 10.48550/arxiv.2009.13413)

Signatures of the BCS-BEC crossover in the yrast spectra of Fermi quantum rings

U Ebling, A Alavi, J Brand

Physical Review Research

(2021)

023142

(doi: 10.1103/PhysRevResearch.3.023142)