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  • Currently displaying 341 - 360 of 29607 publications
Author(s)
Publication title
Journal Name
Publication year
An accurate and efficient framework for modelling the surface chemistry of ionic materials
BX Shi, AS Rosen, T Schäfer, A Grüneis, V Kapil, A Zen, A Michaelides
Nat Chem
(2025)
17
Celebrating the 60th birthday and achievements of Professor Ulli Steiner.
S Guldin, M Kolle, S Vignolini, BD Wilts
Soft Matter
(2025)
21
Multi-head committees enable direct uncertainty prediction for atomistic foundation models
H Beck, P Simko, LL Schaaf, O Marsalek, C Schran
(2025)
Learning radical excited states from sparse data
J Shen, LE Walker, K Ma, JD Green, H Bronstein, KT Butler, TJH Hele
Chem Sci
(2025)
16
Tumor-Specific STING Agonist Synthesis via a Two-Component Prodrug System
N-S Hsu
(2025)
Design and characterisation of a thin plate heat exchanger for fouling studies
J Brown, SM Clarke, G Kawaley, MJ Sargent, MA Turner, DI Wilson
Heat and Mass Transfer
(2025)
61
Correction: Modifying recombinant purple acid phosphatase using computational design.
A Venkatramani, M Ali, O Predeina, JC Molloy, P Sormanni, EAH Hall
Eur Biophys J
(2025)
Allylic Amination of Alkenyl Alcohols: Simultaneous Control of Chemoselectivity and Enantioselectivity in Nitrene Transfer Using Ion-Paired Catalysts
HK Adams, A Fanourakis, A Dahiya, I Băltăreţu, RJ Phipps
ACS catalysis
(2025)
15
Overhauser dynamic nuclear polarization effect in alkali metals
BLD Rinkel, K Märker, M Juramy, S Paul, S Menkin, CP Grey
Physical review B (PRB)
(2025)
112
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface.
Y Wang, H Luo, XR Advincula, Z Zhao, A Esfandiar, D Wu, KD Fong, L Gao, AS Hazrah, T Taniguchi, C Schran, Y Nagata, L Bocquet, M-L Bocquet, Y Jiang, A Michaelides, M Bonn
J Am Chem Soc
(2025)
147
Pore Network Tortuosity Controls Fast-Charging in Supercapacitors
T Kress, X Liu, A Forse
(2025)
Geometric direct minimization for low-spin restricted open-shell Hartree-Fock
HGA Burton
(2025)
A Charge-Driven Strategy for Covalent Modification and Modulation of Biomolecular Condensates
Z Chen, L Liu, J Cattin, TPJ Knowles, GJL Bernardes
Journal of the American Chemical Society
(2025)
147
Structural and Gas Uptake Studies on Iron(II) β-Diketiminate Metallomacrocycles
AN Barrett, L Webster, D Gasperini, R Castaing, MF Mahon, RL Webster
Organometallics
(2025)
44
Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods
M Mandal, MR Hermes, F Berger, J Sauer, L Gagliardi
Journal of Physical Chemistry C
(2025)
129
Collinear Jahn-Teller Ordering Induces Monoclinic Distortion in "Defect-Free" LiNiO2.
GS Phillips, JMA Steele, FN Sayed, L Karger, LAV Nagle-Cocco, AR Genreith-Schriever, GE Pérez, DA Keen, J Janek, T Brezesinski, JD Bocarsly, SE Dutton, CP Grey
J Am Chem Soc
(2025)
147
Understanding the Photophysical Properties of the Polyoxotitanates Ln2Ti4O6(phen)2(met)10
R Müller, A Tew, AD Bond, A Rao, H Bronstein, DS Wright
Inorganic Chemistry
(2025)
64
Opinion: The role of AerChemMIP in advancing climate and air quality research
PT Griffiths, LJ Wilcox, RJ Allen, V Naik, FM O'Connor, M Prather, A Archibald, F Brown, M Deushi, W Collins, S Fiedler, N Oshima, LT Murray, BH Samset, C Smith, S Turnock, D Watson-Parris, PJ Young
Atmospheric Chemistry and Physics
(2025)
25
SCoTCH- seq reveals that 5-hydroxymethylcytosine encodes regulatory information across DNA strands
S Balasubramanian, J Hardwick, S Dhir, A Kirchner, A Simeone, S Flynn, J Edgerton, R de Cesaris Araujo Tavares, I Esain Garcia, D Tannahill, P Golder, J Monahan, W Gosal
Proceedings of the National Academy of Sciences
(2025)
122
Carbon Monoxide Prodrugs for Targeted Cancer Therapy
I Černauskienė
(2025)