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  • Currently displaying 2261 - 2280 of 30180 publications
Author(s)
Publication title
Journal Name
Publication year
Mixed titanium/tin vacancy-ordered double perovskites (Cs₂Ti₁₋ₓSnₓX₆; X = I, Br)
S Liga, SR Kavanagh, A Walsh, DO Scanlon, G Konstantatos
(2023)
ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
WC Witt, C van der Oord, E Gelžinytė, T Järvinen, A Ross, JP Darby, CH Ho, WJ Baldwin, M Sachs, J Kermode, N Bernstein, G Csányi, C Ortner
(2023)
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
BX Shi, RJ Nicholls, JR Yates
Physical Review B
(2023)
108
Chemoenzymatic Photoreforming: A Sustainable Approach for Solar Fuel Generation from Plastic Feedstocks.
S Bhattacharjee, C Guo, E Lam, JM Holstein, M Rangel Pereira, CM Pichler, C Pornrungroj, M Rahaman, T Uekert, F Hollfelder, E Reisner
J Am Chem Soc
(2023)
145
Fully First-Principles Surface Spectroscopy with Machine Learning
Y Litman, J Lan, Y Nagata, DM Wilkins
The Journal of Physical Chemistry Letters
(2023)
14
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity.
Nicy, R Collepardo-Guevara, JA Joseph, DJ Wales
QRB Discov
(2023)
4
Sodium Tetrakis(hexafluoroisopropyloxy)aluminates: Synthesis and Electrochemical Characterisation of a Room‐Temperature Solvated Ionic Liquid
DMC Ould, S Menkin, HE Smith, V Riesgo‐González, TH Smith, MNB Chinn, E Jónsson, AD Bond, CP Grey, DS Wright
ChemElectroChem
(2023)
11
A Supramolecular Naphthalene Diimide Radical Anion with Efficient NIR‐II Photothermal Conversion for E. coli‐Responsive Photothermal Therapy
H Hu, Y-Y Zhang, H Ma, Y Yang, S Mei, J Li, J-F Xu, X Zhang
Angew Chem Int Ed Engl
(2023)
62
Correction to: Sensing the DNA-mismatch tolerance of catalytically inactive Cas9 via barcoded DNA nanostructures in solid-state nanopores (Nature Biomedical Engineering, (2023), 8, 3, (325-334), 10.1038/s41551-023-01078-2)
SE Sandler, NE Weckman, S Yorke, A Das, K Chen, R Gutierrez, UF Keyser
Nature biomedical engineering
(2023)
8
Effects of Processing-Induced Contamination on Organic Electronic Devices
D Simatos, IE Jacobs, I Dobryden, M Nguyen, A Savva, D Venkateshvaran, M Nikolka, J Charmet, LJ Spalek, M Gicevičius, Y Zhang, G Schweicher, DJ Howe, S Ursel, J Armitage, IB Dimov, U Kraft, W Zhang, M Alsufyani, I McCulloch, RM Owens, PM Claesson, TPJ Knowles, H Sirringhaus
Small methods
(2023)
7
Of hopeful narratives and historical injustices - An analysis of just transition narratives in European coal regions
L Hermwille, M Schulze-Steinen, V Brandemann, M Roelfes, Z Vrontisi, E Kesküla, A Anger-Kraavi, Ł Trembaczowski, W Mandrysz, R Muster, A Zygmunt-Ziemianek
Energy Research & Social Science
(2023)
104
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows.
E Gelžinytė, S Wengert, TK Stenczel, HH Heenen, K Reuter, G Csányi, N Bernstein
Journal of Chemical Physics
(2023)
159
Vitamin B12 bioaccumulation in Chlorella vulgaris grown on food waste-derived anaerobic digestate
KP Papadopoulos, MF de Souza, L Archer, ACZ Illanes, EL Harrison, F Taylor, MP Davey, DA Gallardo, AJ Komakech, S Radmehr, A Holzer, E Meers, AG Smith, P Mehrshahi
Algal Research
(2023)
75
Editorial overview: Artificial intelligence (AI) methodology in structural biology
A Bender, C de Graaf, NM O'Boyle
Current Opinion in Structural Biology
(2023)
82
Spatiotemporal distribution of pollutants and impact of local meteorology on source influence on pollutants' level in a traffic air-shed in Lagos megacity, Nigeria
AP Olufemi, OG Fawole, OK Owoade, OAM Popoola, RL Jones, AB Toyeje, PO Abiodun, OR Omokungbe, OE Abiye, LA Sunmonu
Environ Monit Assess
(2023)
195
Electrochemical and genetic tools for analysing and engineering bioenergetic processes in cyanobacteria
J Lawrence
(2023)
Quantum Nuclear Delocalization and its Rovibrational Fingerprints
I Simkó, C Schran, F Brieuc, C Fábri, O Asvany, S Schlemmer, D Marx, AG Császár
Angewandte Chemie International Edition
(2023)
62
Metal-Organic Framework Supercapacitors: Challenges and Opportunities
S-J Shin, J Gittins, C Balhatchet, A Walsh, A Forse
(2023)
Pushing Technique Boundaries to Probe Conformational Polymorphism
MR Ward, CR Taylor, MT Mulvee, GI Lampronti, AM Belenguer, JW Steed, GM Day, IDH Oswald
Crystal Growth & Design
(2023)
23
Quantum Nuclear Delocalization and its Rovibrational Fingerprints
I Simkó, C Schran, F Brieuc, C Fábri, O Asvany, S Schlemmer, D Marx, AG Császár
Angewandte Chemie
(2023)
135