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  • Currently displaying 2041 - 2060 of 29639 publications
Author(s)
Publication title
Journal Name
Publication year
Artificial intelligence (AI) methodology in structural biology
A Bender, C de Graaf, NM O'Boyle
Current opinion in structural biology
(2023)
82
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
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 International Edition
(2023)
62
Electrochemical and genetic tools for analysing and engineering bioenergetic processes in cyanobacteria
J Lawrence
(2023)
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
Environmental Monitoring and Assessment
(2023)
195
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
ORDerly: Datasets and benchmarks for chemical reaction data
D Wigh, J Arrowsmith, A Pomberger, K Felton, A Lapkin
(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
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
Quantifying the Effect of Guest Binding on Host Environment.
HP Ryan, ZS Fishman, JT Pawlik, A Grommet, M Musial, F Rizzuto, JC Booth, CJ Long, K Schwarz, ND Orloff, JR Nitschke, AC Stelson
J Am Chem Soc
(2023)
145
Imperfections are not 0 K: free energy of point defects in crystals.
I Mosquera-Lois, SR Kavanagh, J Klarbring, K Tolborg, A Walsh
Chemical Society reviews
(2023)
52
Supplementary material to "Implementation and evaluation of updated photolysis rates in the EMEP MSC-W chemical transport model using Cloud-J v7.3e"
WE van Caspel, D Simpson, JE Jonson, AMK Benedictow, Y Ge, A di Sarra, G Pace, M Vieno, H Walker, M Heal
(2023)
The role of tyrosine in protein-dopamine based bioinspired adhesives: the stoichiometry that maximizes bonding strength
ML Presti, N Ostrovsky-Snider, G Rizzo, M Portoghese, D Blasi, GM Farinola, FG Omenetto
Frontiers in Biomaterials Science
(2023)
2
Implementation and evaluation of updated photolysis rates in the EMEP MSC-W chemical transport model using Cloud-J v7.3e
WE van Caspel, D Simpson, JE Jonson, AMK Benedictow, Y Ge, A di Sarra, G Pace, M Vieno, H Walker, M Heal
(2023)
Identifying Non-Stationarity in Non-Linear Harmonics of EIS Measurements of Li Batteries
MA Zabara, G Katırcı, B Ülgüt
ECS Meeting Abstracts
(2023)
MA2023-01
Understanding the Catalytic Mechanism of Redox Mediators for Li-O2 Batteries Using Cyclic Voltammetry
G Horwitz, S Niblett, V Kunz, Y Choi, CP Grey
ECS Meeting Abstracts
(2023)
MA2023-01
Studies on the Transcorrelated Method.
N Lee, AJW Thom
J Chem Theory Comput
(2023)
19
Low Temperature Niobium Tungsten Oxides as Anodes for Fast Charging Li-Ion Batteries
S Nagendran, CP Grey
ECS Meeting Abstracts
(2023)
MA2023-01
Optimization of a small molecule inhibitor of secondary nucleation in α-synuclein aggregation.
R Staats, ZF Brotzakis, S Chia, RI Horne, M Vendruscolo
Frontiers in Molecular Biosciences
(2023)
10