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  • Currently displaying 5421 - 5440 of 31556 publications
Author(s)
Publication title
Journal Name
Publication year
Linear Atomic Cluster Expansion Force Fields forOrganic Molecules: beyond RMSE
DP Kovacs, C van der Oord, J Kucera, A Allen, D Cole, C Ortner, G Csanyi
(2021)
Identification of SARS-CoV-2-induced pathways reveals drug repurposing strategies.
N Han, W Hwang, K Tzelepis, P Schmerer, E Yankova, M MacMahon, W Lei, N M Katritsis, A Liu, U Felgenhauer, A Schuldt, R Harris, K Chapman, F McCaughan, F Weber, T Kouzarides
Science Advances
(2021)
7
Variations of the Hartree-Fock fractional-spin error for one electron
HGA Burton, C Marut, TJ Daas, P Gori-Giorgi, P-F Loos
(2021)
Impact of Orientational Glass Formation and Local Strain on PhotoInduced Halide Segregation in Hybrid Metal-Halide Perovskites
TWJ van de Goor, Y Liu, S Feldmann, SA Bourelle, T Neumann, T Winkler, ND Kelly, C Liu, MA Jones, SP Emge, RH Friend, B Monserrat, F Deschler, SE Dutton
Journal of Physical Chemistry C
(2021)
125
Exploring the Solution Formation of UiO Family Hf Metal-Organic Framework clusters with in situ X-Ray Pair Distribution Function Analysis
FCN Firth, MW Gaultois, Y Wu, J Stratford, DS Keeble, CP Grey, MJ Cliffe
(2021)
Supplementary material to "Evaluation of global EMEP MSC-W (rv4.34)-WRF (v3.9.1.1) model surface concentrations and wet deposition of reactive N and S with measurements"
Y Ge, MR Heal, DS Stevenson, P Wind, M Vieno
(2021)
Rapid one-pot iterative diselenide–selenoester ligation using a novel coumarin-based photolabile protecting group
L Kambanis, TS Chisholm, SS Kulkarni, RJ Payne
Chem Sci
(2021)
12
Evaluation of global EMEP MSC-W (rv4.34)-WRF (v3.9.1.1) model surface concentrations and wet deposition of reactive N and S with measurements
Y Ge, MR Heal, DS Stevenson, P Wind, M Vieno
(2021)
Coordination Cages: Beyond The Solution State
H Ryan
(2021)
Exploring the Solution Formation of UiO Family Hf Metal-Organic Framework clusters with in situ X-Ray Pair Distribution Function Analysis
FCN Firth, MW Gaultois, Y Wu, J Stratford, DS Keeble, CP Grey, MJ Cliffe
(2021)
Unknown Eruption Source Parameters Cause Large Uncertainty in Historical Volcanic Radiative Forcing Reconstructions
LR Marshall, A Schmidt, JS Johnson, GW Mann, LA Lee, R Rigby, KS Carslaw
Journal of Geophysical Research: Atmospheres
(2021)
126
Enantioselective Intermolecular C-H Amination Directed by a Chiral Cation.
A Fanourakis, BD Williams, KJ Paterson, RJ Phipps
Journal of the American Chemical Society
(2021)
143
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon
Y Lysogorskiy, CVD Oord, A Bochkarev, S Menon, M Rinaldi, T Hammerschmidt, M Mrovec, A Thompson, G Csányi, C Ortner, R Drautz
npj Computational Materials
(2021)
7
Chemical profiling of DNA G-quadruplex-interacting proteins in live cells
S Balasubramanian, X Zhang, J Spiegel, S Adhikari, S Martinez Cuesta
Nature chemistry
(2021)
13
Uncovering the Hidden Landscape of Tris(4‐pyridyl) Ligands: Topological Complexity Derived from the Bridgehead
JE Waters, G Berger, AJ Peel, R García-Rodríguez, AD Bond, DS Wright
Chemistry: A European Journal
(2021)
27
Incorporation of nanogels within calcite single crystals for the storage, protection and controlled release of active compounds.
O Nahi, AN Kulak, T Kress, Y-Y Kim, OG Grendal, MJ Duer, OJ Cayre, FC Meldrum
Chemical Science
(2021)
12
The Role of Metal–Organic Frameworks in Moderating Platinum-Based Ethanol Electrooxidation Catalysts
JB Fritzke, C Eßbach, P Wollmann, AH Khan, I Senkovska, IM Weidinger, S Kaskel, E Brunner
The Journal of Physical Chemistry C
(2021)
125
Interplay between order and disorder in natural photonic structures
L Schertel, G Jacucci, GT van de Kerhof, S Vignolini
2021 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC)
(2021)
00
Nuclear dynamics of singlet exciton fission in pentacene single crystals
H Seiler, M Krynski, D Zahn, S Hammer, YW Windsor, T Vasileiadis, J Pflaum, R Ernstorfer, M Rossi, H Schwoerer
Science Advances
(2021)
7
Insights into the electric double-layer capacitance of two-dimensional electrically conductive metal-organic frameworks.
JW Gittins, CJ Balhatchet, Y Chen, C Liu, DG Madden, S Britto, MJ Golomb, A Walsh, D Fairen-Jimenez, SE Dutton, AC Forse
J Mater Chem A Mater
(2021)
9