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  • Currently displaying 3241 - 3260 of 29644 publications
Author(s)
Publication title
Journal Name
Publication year
Covalent Organic Framework Nanoplates Enable Solution-Processed Crystalline Nanofilms for Photoelectrochemical Hydrogen Evolution
L Yao, A Rodríguez-Camargo, M Xia, D Mücke, R Guntermann, Y Liu, L Grunenberg, A Jiménez-Solano, ST Emmerling, V Duppel, K Sivula, T Bein, H Qi, U Kaiser, M Grätzel, BV Lotsch
Journal of the American Chemical Society
(2022)
144
Novel Ansätze for Stochastic Coupled Cluster
M-A Filip
(2022)
Multilevel simulation of hard-sphere mixtures
PB Rohrbach, H Kobayashi, R Scheichl, NB Wilding, RL Jack
(2022)
Evaluating Geometric Definitions of Stacking for RNA Dinucleoside Monophosphates Using Molecular Mechanics Calculations.
A Taghavi, I Riveros, DJ Wales, I Yildirim
J Chem Theory Comput
(2022)
18
A Small Molecule Stabilizes the Disordered Native State of the Alzheimer’s Aβ Peptide
T Löhr, K Kohlhoff, GT Heller, C Camilloni, M Vendruscolo
ACS Chem Neurosci
(2022)
13
Formation of Azaphilone Pigments and Monasnicotinic Acid by the Fungus Aspergillus cavernicola
TV Antipova, V Zhelifonova, KV Zaitsev, A Zherebker, B Baskunov, YF Oprunenko
Journal of Agricultural and Food Chemistry
(2022)
70
First-Principles Dynamics of Fluorine Adsorption on Clean and Monohydrogenated Si{001}.
IYH Wu, SJ Jenkins
Langmuir : the ACS journal of surfaces and colloids
(2022)
38
Thermal degradation of n-hexadecane base oil and its impact on boundary friction and surface adsorption
S Campen, CWJ Fong, W Song, JSS Wong
Tribology International
(2022)
170
Homogeneous ice nucleation rates for mW and TIP4P/ICE models through Lattice Mold calculations
I Sanchez-Burgos, AR Tejedor, C Vega, MM Conde, E Sanz, J Ramirez, JR ESPINOSA
(2022)
Reckoning with the Rocky Relationship Between Eruption Size and Climate Response: Toward a Volcano-Climate Index
A Schmidt, BA Black
(2022)
50
Corrigendum to ‘Surface passivation and oxide encapsulation to improve optical properties of a single GaAs quantum dot close to the surface’. [Appl. Surf. Sci. 532 (2020) 147360]
S Manna, H Huang, SFC da Silva, C Schimpf, MB Rota, B Lehner, M Reindl, R Trotta, A Rastelli
Applied Surface Science
(2022)
585
Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
SE Thomas, WJ McCarthy, J El Bakali, KP Brown, SY Kim, M Blaszczyk, V Mendes, C Abell, RA Floto, AG Coyne, TL Blundell
Front Mol Biosci
(2022)
9
Determination of the structure and dynamics of the fuzzy coat of an amyloid fibril of IAPP using cryo-electron microscopy
ZF Brotzakis, T Löhr, S Truong, SE Hoff, M Bonomi, M Vendruscolo
(2022)
MolE8: finding DFT potential energy surface minima values from force-field optimised organic molecules with new machine learning representations
S Lee, K Ermanis, JM Goodman
Chem Sci
(2022)
13
Alternating one-phase and two-phase crystallization mechanisms in octahedral patchycolloids
A Garaizar, T Higginbotham, I Sanchez-Burgos, A tejedor, E Sanz, JR ESPINOSA
(2022)
Long-term solar water and CO2 splitting with photoelectrochemical BiOI-BiVO4 tandems.
V Andrei, RA Jagt, M Rahaman, L Lari, VK Lazarov, JL MacManus-Driscoll, RLZ Hoye, E Reisner
Nature materials
(2022)
21
Investigating the structural changes due to adenosine methylation of the Kaposi's sarcoma-associated herpes virus ORF50 transcript.
K Röder, AM Barker, A Whitehouse, S Pasquali
PLoS Comput Biol
(2022)
18
Nested sampling for physical scientists
G Ashton, N Bernstein, J Buchner, X Chen, G Csányi, A Fowlie, F Feroz, M Griffiths, W Handley, M Habeck, E Higson, M Hobson, A Lasenby, D Parkinson, LB Pártay, M Pitkin, D Schneider, JS Speagle, L South, J Veitch, P Wacker, DJ Wales, D Yallup
Nature Reviews Methods Primers
(2022)
2
Upgrading the Protein Formulation Toolbox through Predictive and Explanatory Models
N Warner
(2022)
Polysaccharide metabolism regulates structural colour in bacterial colonies.
GT van de Kerkhof, L Schertel, L Catòn, TG Parton, KH Müller, HF Greer, CJ Ingham, S Vignolini
Journal of The Royal Society Interface
(2022)
19