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Currently displaying 961 - 980 of 29360 publications

Rationale for the extrapolation procedure in selected configuration interaction

HGA Burton, P-F Loos

– The Journal of chemical physics

(2024)

160,

104102

(doi: 10.1063/5.0192458)

Low-temperature Open-atmosphere Growth of WO3 Thin Films with Tunable and High-performance Photoresponse

Z Sun, S Bhattacharjee, M Xiao, W Li, MO Hill, RA Jagt, LV Delumeau, KP Musselman, E Reisner, J MacManus-Driscoll

– Journal of Materials Chemistry C

(2024)

12,

4779

(doi: 10.1039/D3TC02257A)

Understanding Biology in the Age of Artificial Intelligence

E Lawrence, A El-Shazly, S Seal, CK Joshi, P Liò, S Singh, A Bender, P Sormanni, M Greenig

(2024)

(link to publication)

PromptSMILES: Prompting for scaffold decoration and fragment linking in chemical language models

M Thomas, M Ahmad, G Tresadern, G de Fabritiis

(2024)

(doi: 10.26434/chemrxiv-2024-z5jnt)

A deep dive into the liquid droplet state of α-synuclein

ST Dada

(2024)

(doi: 10.17863/CAM.114651)

Impacts of Supercapacitor Electrode Structure on Electrochemical CO2 Capture

Z Xu, G Mapstone, Z Coady, M Wang, T Spreng, X Liu, A Forse

(2024)

(doi: 10.26434/chemrxiv-2023-nj817-v2)

MolScore: A scoring and evaluation framework for de novo drug design

M Thomas, NM O'Boyle, A Bender, C de Graaf

(2024)

(doi: 10.26434/chemrxiv-2023-c4867-v2)

Susceptibility of hypertensive individuals to acute blood pressure increases in response to personal-level environmental temperature decrease.

Y Xu, Y Han, W Chen, L Chatzidiakou, L Yan, A Krause, Y Li, H Zhang, T Wang, T Xue, Q Chan, B Barratt, RL Jones, J Liu, Y Wu, M Zhao, J Zhang, FJ Kelly, T Zhu

– Environ Int

(2024)

185,

108567

(doi: 10.1016/j.envint.2024.108567)

Fabrication of gradient hydrogels using a thermophoretic approach in microfluidics.

A Kosmidis Papadimitriou, SW Chong, Y Shen, OS Lee, TPJ Knowles, LM Grover, D Vigolo

– Biofabrication

(2024)

16,

025023

(doi: 10.1088/1758-5090/ad2b05)

Dynamic mechanostereochemical switching of a co-conformationally flexible [2]catenane controlled by specific ionic guests.

Y Yao, YC Tse, SK-M Lai, Y Shi, K-H Low, HY Au-Yeung

– Nat Commun

(2024)

15,

1952

(doi: 10.1038/s41467-024-46099-w)

Azobenzene isomerization on a reactive copper surface by efficient decoupling with bulky side groups

S Jaekel, R Stoll, F Berger, S Hecht, L Grill

– Surface Science

(2024)

744,

122468

(doi: 10.1016/j.susc.2024.122468)

High-density volumetric super-resolution microscopy.

S Daly, J Ferreira Fernandes, E Bruggeman, A Handa, R Peters, S Benaissa, B Zhang, JS Beckwith, EW Sanders, RR Sims, D Klenerman, SJ Davis, K O'Holleran, SF Lee

– Nature communications

(2024)

15,

1940

(doi: 10.1038/s41467-024-45828-5)

High-density volumetric super-resolution microscopy

S Daly, J Ferreira Fernandes, E Bruggeman, A Handa, R Peters, S Benaissa, B Zhang, JS Beckwith, EW Sanders, RR Sims, D Klenerman, SJ Davis, K O’Holleran, SF Lee

– Nature Communications

(2024)

15,

1940

(doi: 10.1038/s41467-024-45828-5)

Mold: a LAMMPS package to compute interfacial free energies and nucleation rates

AR Tejedor, I Sanchez-Burgos, E Sanz, C Vega, FJ Blas, RL Davidchack, ND Pasquale, J Ramirez, JR Espinosa

– The Journal of Open Source Software

(2024)

6083

(doi: 10.21105/joss.06083)

Biomass waste-derived catalysts for biodiesel production: Recent advances and key challenges