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  • Currently displaying 1481 - 1500 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Insights into machine learning models from chemical physics: an energy landscapes approach (EL for ML)
MP Niroomand, L Dicks, EO Pyzer-Knapp, DJ Wales
Digital Discovery
(2024)
3
Efficient automated solid-phase synthesis of recognition-encoded melamine oligomers
M Dhiman, R Cabot, CA Hunter
Chemical Science
(2024)
15
Lanthanide hydrogels with tunable circularly polarized luminescence (CPL) via supramolecular chirality induction
R Laishram, S Sarkar, U Maitra, SJ George
Journal of Materials Chemistry C
(2024)
12
Bimetallic platinum rhenium catalyst for efficient low temperature dehydrogenation of perhydro benzyltoluene
D Strauch, P Weiner, BB Sarma, A Körner, E Herzinger, P Wolf, A Zimina, A Hutzler, DE Doronkin, J-D Grunwaldt, P Wasserscheid, M Wolf
Catalysis Science & Technology
(2024)
14
Red-light modulated ortho-chloro azobenzene photoswitch for peptide stapling via aromatic substitution
M Kapun, FJ Pérez-Areales, N Ashman, PJE Rowling, T Schober, E Fowler, LS Itzhaki, DR Spring
RSC Chemical Biology
(2024)
5
Correlating the Structure of Quinone-Functionalized Carbons with Electrochemical Co2 Capture Performance
NA Hartley, Z Xu, T Kress, AC Forse
(2024)
Spiers Memorial Lecture: Lithium air batteries – tracking function and failure
JB Fritzke, JHJ Ellison, L Brazel, G Horwitz, S Menkin, CP Grey
Faraday Discussions
(2024)
248
Effect of Cooling Rate and Molecular Weight on the Non- Isothermal Crystallization of Polyethylene
T Hao, X Li, DJ Wales, Y Ming, Y Nie, Z Zhou, D Yan
(2024)
Coordination of dissolved transition metals in pristine battery electrolyte solutions determined by NMR and EPR spectroscopy
JP Allen, C Szczuka, HE Smith, E Jónsson, R-A Eichel, J Granwehr, CP Grey
Physical Chemistry Chemical Physics
(2024)
26
Negative cooperativity in the formation of H-bond networks involving primary anilines
FE Hanna, AJ Root, M Schade, CA Hunter
Chemical Science
(2024)
15
Every atom counts: predicting sites of reaction based on chemistry within two bonds
CC Lam, JM Goodman
Digital Discovery
(2024)
3
Complexes of Counterion-Trapped Molecules: Extreme Polarity, Rich IR-Activity, and Internal-Field Moderated Transformations
FY Naumkin, M Sullivan, DJ Wales
(2024)
34
Small Molecules and Their Conjugates with Peptides: Chemical Strategies to Tackle Resistant Bacteria
T Deingruber
(2024)
Improving long-term capacity retention of NMC811 via lithium aluminate coatings using mixed-metal alkoxides
V Riesgo-González, CA O'Keefe, CP Grey, DS Wright
Journal of Materials Chemistry A
(2024)
12
An atomic surface site interaction point description of non-covalent interactions
MC Storer, KJ Zator, DP Reynolds, CA Hunter
Chemical Science
(2024)
15
Method development and analysis of nanoparticle size fractions from tire-wear emissions
M Haugen, P Bühler, S Schläfle, D O'Loughlin, S Saladin, C Giorio, A Boies
Environmental Science Atmospheres
(2024)
4
Beyond Labels: Advancing Single Molecule Sensitivity with Hot Fabry-Perot Micro Cavities
C Saavedra, D Sole-Barber, J Rasch, L-M Needham, R Goldsmith
CLEO Science and Innovations CLEO S and I 2024 in Proceedings CLEO 2024 Part of Conference on Lasers and Electro Optics
(2024)
29
Every atom counts: Predicting sites of reaction based on chemistry within two bonds
CC Lam, JM Goodman
Digital Discovery
(2024)
3
Low-temperature open-atmosphere growth of WO3 thin films with tunable and high-performance photoresponse
Z Sun, S Bhattacharjee, M Xiao, W Li, MO Hill, RA Jagt, L-V Delumeau, KP Musselman, E Reisner, J MacManus-Driscoll
Journal of Materials Chemistry C
(2024)
12
Jobflow: Computational Workflows Made Simple
AS Rosen, M Gallant, J George, J Riebesell, H Sahasrabuddhe, J-X Shen, M Wen, ML Evans, G Petretto, D Waroquiers, G-M Rignanese, KA Persson, A Jain, AM Ganose
Journal of Open Source Software
(2024)
9