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Currently displaying 2921 - 2940 of 30170 publications

A practical perspective on the potential of rechargeable Mg batteries

JA Blázquez, RR Maça, O Leonet, E Azaceta, A Mukherjee, Z Zhao-Karger, Z Li, A Kovalevsky, A Fernández-Barquín, AR Mainar, P Jankowski, L Rademacher, S Dey, SE Dutton, CP Grey, J Drews, J Häcker, T Danner, A Latz, D Sotta, MR Palacin, J-F Martin, JMG Lastra, M Fichtner, S Kundu, A Kraytsberg, Y Ein-Eli, M Noked, D Aurbach

Energy & Environmental Science

(2023)

1964

(doi: 10.1039/d2ee04121a)

Chapter 5 Computer experiments

D Frenkel, B Smit

(2023)

125

(doi: 10.1016/b978-0-32-390292-2.00013-1)

Chapter 4 Molecular Dynamics simulations

D Frenkel, B Smit

(2023)

(doi: 10.1016/b978-0-32-390292-2.00012-x)

In silico prediction of protodeboronation by a mechanistic DFT-aided algorithm

DS Wigh, M Tissot, P Pasau, JM Goodman, AA Lapkin

Aiche Annual Meeting Conference Proceedings

(2023)

2023-November

Supramolecular chemistry of p-block elements

DS Wright, H-C Niu

(2023)

1-10

652

(doi: 10.1016/b978-0-12-823144-9.00004-2)

Chapter Fourteen Convergence of Møller–Plesset perturbation theory for excited reference states

D-G Oprea, HGA Burton

(2023)

249

(doi: 10.1016/bs.aiq.2023.01.012)

Enantioselective C–C bond formation in complex multicatalytic systems

L Veth, P Dydio

(2023)

211

(doi: 10.1016/bs.acat.2023.07.007)

Elucidating the effect of proteoforms on the pathogenic aggregation of α-synuclein

A Rontgen, Z Toprakcioglu, S Dada, M Vendruscolo

FEBS OPEN BIO

(2023)

191

Reducing non-radiative voltage losses in organic solar cells using molecular encapsulation

A Sharma, L Sharma, J Bertrandie, DR Villalva, Y Gao, CSP De Castro, J Troughton, J Gorenflot, F Laquai, H Bronstein, D Baran

Materials Chemistry Frontiers

(2023)

735

(doi: 10.1039/d2qm01044e)

OPPORTUNITIES FOR INNOVATION WITH BIOSIMILARS

I Simpson, G Spooner

Ondrugdelivery

(2023)

2023

Chapter 12 Configurational-bias Monte Carlo

D Frenkel, B Smit

(2023)

405

(doi: 10.1016/b978-0-32-390292-2.00023-4)

Development of novel lysine targeting covalent inhibitors for Bruton’s tyrosine kinase and casein kinase 2 and synthesis of novel hybrid androgen receptor inhibitors

RC Bizga Nicolescu

(2023)

(doi: 10.17863/CAM.96854)

Accelerating Monte Carlo sampling

D Frenkel, B Smit

(2023)

455

(doi: 10.1016/b978-0-32-390292-2.00024-6)

Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture

NA Hartley, SM Pugh, Z Xu, DCY Leong, A Jaffe, AC Forse

Journal of Materials Chemistry A

(2023)