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  • Currently displaying 2021 - 2040 of 29614 publications
Author(s)
Publication title
Journal Name
Publication year
Fully First-Principles Surface Spectroscopy with Machine Learning
Y Litman, J Lan, Y Nagata, DM Wilkins
J Phys Chem Lett
(2023)
14
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
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)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity.
Nicy, R Collepardo-Guevara, JA Joseph, DJ Wales
QRB discovery
(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
Sensing the DNA-mismatch tolerance of catalytically inactive Cas9 via barcoded DNA nanostructures in solid-state nanopores (vol 8, pg 325, 2024)
SE Sandler, NE Weckman, S Yorke, A Das, K Chen, R Gutierrez, UF Keyser
Nat Biomed Eng
(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 and Social Science
(2023)
104
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
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
The Journal of Chemical Physics
(2023)
159
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
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
Electrochemical and genetic tools for analysing and engineering bioenergetic processes in cyanobacteria
J Lawrence
(2023)
Metal-Organic Framework Supercapacitors: Challenges and Opportunities
S-J Shin, J Gittins, C Balhatchet, A Walsh, A Forse
(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
(2023)
135
Pushing Technique Boundaries to Probe Conformational Polymorphism
MR Ward, CR Taylor, MT Mulvee, GI Lampronti, AM Belenguer, JW Steed, GM Day, IDH Oswald
Cryst Growth Des
(2023)
23
ORDerly: Datasets and benchmarks for chemical reaction data
D Wigh, J Arrowsmith, A Pomberger, K Felton, A Lapkin
(2023)
Active–passive mixtures with bulk loading: a minimal active engine in one dimension
J-F Derivaux, RL Jack, ME Cates
Journal of Statistical Mechanics Theory and Experiment
(2023)
2023