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Currently displaying 2321 - 2340 of 30846 publications

Coordination of dissolved transition metals in pristine battery electrolyte solutions determined by NMR and EPR spectroscopy

JP Allen, C Szczuka, HE Smith, E Jónsson, R-A Eichel, J Granwehr, CP Grey

Physical Chemistry Chemical Physics

(2024)

19505

(doi: 10.1039/d4cp01663g)

Tuning the mechanical properties of molecular perovskites by controlling framework distortions via A-site substitution

SM Kronawitter, S Park, SA Hallweger, E Myatt, J Pitcairn, MJ Cliffe, D Daisenberger, M Drees, G Kieslich

Materials Advances

(2024)

6440

(doi: 10.1039/d4ma00587b)

Protein Folding, Engineering of

SE Jackson

(2024)

644

(doi: 10.1016/b978-0-323-90800-9.00306-1)

easyunfold: A Python package for unfolding electronic band structures

B Zhu, SR Kavanagh, D Scanlon

The Journal of Open Source Software

(2024)

5974

(doi: 10.21105/joss.05974)

Insights into machine learning models from chemical physics: an energy landscapes approach (EL for ML)

MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales

Digital Discovery

(2024)

637

(doi: 10.1039/d3dd00204g)

Low-temperature open-atmosphere growth of WO ₃ thin films with tunable and high-performance photoresponse

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

Journal of Materials Chemistry C

(2024)

4779

(doi: 10.1039/d3tc02257a)

Effect of Cooling Rate and Molecular Weight on the Non- Isothermal Crystallization of Polyethylene

T Hao, X Li, DJ Wales, Y Ming, Y Nie, Z Zhou, D Yan

(2024)

(doi: 10.2139/ssrn.5003379)

Small Molecules and Their Conjugates with Peptides: Chemical Strategies to Tackle Resistant Bacteria

T Deingruber

(2024)

(doi: 10.17863/CAM.109582)

Disordered solids and glasses, electronic structure of

SR Elliott

(2024)

(doi: 10.1016/b978-0-323-90800-9.00165-7)

Lanthanide hydrogels with tunable circularly polarized luminescence (CPL) via supramolecular chirality induction

R Laishram, S Sarkar, U Maitra, SJ George

Journal of Materials Chemistry C

(2024)

15418

(doi: 10.1039/d4tc03257h)

Negative cooperativity in the formation of H-bond networks involving primary anilines

FE Hanna, AJ Root, M Schade, CA Hunter

Chemical Science

(2024)

12036

(doi: 10.1039/d4sc03719g)

An atomic surface site interaction point description of non-covalent interactions

MC Storer, KJ Zator, DP Reynolds, CA Hunter

Chemical Science

(2024)

160

(doi: 10.1039/d3sc05690b)

Jobflow: Computational Workflows Made Simple

AS Rosen, M Gallant, J George, J Riebesell, H Sahasrabuddhe, J-X Shen, M Wen, ML Evans, G Petretto, D Waroquiers, G-M Rignanese, KA Persson, A Jain, AM Ganose

Journal of Open Source Software

(2024)

5995

(doi: 10.21105/joss.05995)

EQUIVARIANT MATRIX FUNCTION NEURAL NETWORKS

I Batatia, LL Schaaf, G Csányi, C Ortner, FA Faber

12th International Conference on Learning Representations Iclr 2024

(2024)

(doi: 10.17863/CAM.111579)

Foaming photothermal inks for direct-ink writing: hierarchical design and enhanced solar-powered interfacial evaporation

J Gao, K Shao, J Li, N Li, S Wang, X Wu, P Murto, Z Wang, Y Zhou, X Xu

Journal of Materials Chemistry A