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Currently displaying 1 - 20 of 31566 publications

Understanding Transition Metal Chemistry

S Boss, P Barker, J Field, A Peel

(2026)

(doi: 10.1039/9781837676347)

One‐Pot Biphasic Photocatalytic CO2‐to‐Carbonylation Cascades

S Mitra, DM Vahey, SA Bonke, E Reisner

Angewandte Chemie

(2026)

e5220236

(doi: 10.1002/ange.5220236)

One‐Pot Biphasic Photocatalytic CO2‐to‐Carbonylation Cascades

S Mitra, DM Vahey, SA Bonke, E Reisner

Angew Chem Int Ed Engl

(2026)

e5220236

(doi: 10.1002/anie.5220236)

Assessing the Transferability of General-Purpose MachineLearning Interatomic Potentials for Heterogeneous Catalysis with HetCat26

A Peuch, G Kler-Young, K Niu, J Hwang, M Mavrikakis, A Michaelides, F Berger

(2026)

Extracellular manganese as a redox mediator and matrix binder in cyanobacterial photoelectrochemistry.

EI Wroe, LA Milburn, M Ghamsari, L Marcel, J Wilson, S Nir, J Zhang

Bioelectrochemistry

(2026)

174

109466

(doi: 10.1016/j.bioelechem.2026.109466)

PepSpace: An Automated, Physics-Driven Directed Evolution Platform for the De Novo Design of Specific Peptide Binders and Condensate Modulators

J Oller-Iscar, AR Tejedor, A Feito, M Velasco-Estevez, A Ocaña, R Collepardo-Guevara, JR Espinosa

(2026)

(doi: 10.64898/2026.09.18.752684)

Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$)

LAV Nagle-Cocco, JD Bocarsly, K Sada, ND Kelly, MA Kiefer, E Suard, SJ Day, C Liu, CP Grey, P Barpanda, C Ritter, SE Dutton

(2026)

(doi: 10.48550/arxiv.2208.12197)

An additive reference correction scheme for the transcorrelated method.

J Hauskrecht, K Simula, Y Cheng, EMC Christlmaier, D Kats, A Alavi

The Journal of Chemical Physics

(2026)

165

121101

(doi: 10.1063/5.0349731)

In Situ and Operando Neutron Powder Diffraction of Na x NiO 2 : A Case Study for Sodium-Ion Batteries

JMA Steele, G Pérez, FN Sayed, L Nagle-Cocco, C Tacconis, AM Lencioni, I Scheer, SE Dutton, CP Grey

Journal of The Electrochemical Society

(2026)

(doi: 10.1149/1945-7111/aeab15)

Single‐Atom O/S/Se Substitution at the Glycosidic Linkage in Glycopeptide Cancer Vaccines Reveals Divergent Performance

C Bretón, A Guerreiro, P Oroz, N Osés, I Ginés-Alcober, FJ Cañada, R Hurtado-Guerrero, JL Asensio, JM Peregrina, GJL Bernardes, F Corzana

Angewandte Chemie International Edition

(2026)

e8540595

(doi: 10.1002/anie.8540595)

Single‐Atom O/S/Se Substitution at the Glycosidic Linkage in Glycopeptide Cancer Vaccines Reveals Divergent Performance

C Bretón, A Guerreiro, P Oroz, N Osés, I Ginés‐Alcober, FJ Cañada, R Hurtado‐Guerrero, JL Asensio, JM Peregrina, GJL Bernardes, F Corzana

Angewandte Chemie International Edition

(2026)

e8540595

(doi: 10.1002/ange.8540595)

Fast and Accurate Equivariant Foundation Models for Atomistic Simulation

SR Kavanagh, CW Tan, M Wang, ML Descoteaux, GDM Nascimento, U Unneberg, L Zichi, F Libbi, N Rivano, A Glover, V Bharadwaj, A Johansson, WC Witt, A Musaelian, B Kozinsky

(2026)

(doi: 10.48550/arxiv.2607.28461)

Molecular simulations of chromatin-associated biomolecular condensates.

MJ Maristany, K Russell, I Perez Lopez, J Huertas, R Collepardo-Guevara

Curr Opin Struct Biol

(2026)

101

103378

(doi: 10.1016/j.sbi.2026.103378)

Imaging nanoscopic co-assemblies of α-1 synuclein and Tau in human samples

YP Zhang, A Wallis, CO Bertroli, C Zhang, M Burke, F Layburn, E Lobanova, M Furlepa, S Kedia, Y Cui, P Suresh, WS Yang, A Quaegebeur, T Bartels, CH Williams-Gray, D Klenerman

Nature Communications

(2026)

(doi: 10.1038/s41467-026-77728-1)

Catalytic atroposelective macrocyclization for constructing dominant rotors in peptides

L Zeng, Y Ou, T Yang, A Rowley, P Rukovanský, AD Bond, AK Yudin, DR Spring

Chem

(2026)

103257

(doi: 10.1016/j.chempr.2026.103257)