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- Currently displaying 3561 - 3580 of 30210 publications
Multilevel simulation of hard-sphere mixtures
(2022)
First-Principles Dynamics of Fluorine Adsorption on Clean and Monohydrogenated Si{001}.
Langmuir
(2022)
38
7256
(doi: 10.1021/acs.langmuir.2c00740)
A Small Molecule Stabilizes the Disordered Native State of the Alzheimer's Aβ Peptide
ACS Chem Neurosci
(2022)
13
1738
(doi: 10.1021/acschemneuro.2c00116)
Thermal degradation of n-hexadecane base oil and its impact on boundary friction and surface adsorption
Tribology International
(2022)
170
107492
Formation of Azaphilone Pigments and Monasnicotinic Acid by the Fungus Aspergillus cavernicola.
Journal of Agricultural and Food Chemistry
(2022)
70
7122
(doi: 10.1021/acs.jafc.2c01952)
Reckoning with the Rocky Relationship Between Eruption Size and Climate Response: Toward a Volcano-Climate Index
(2022)
50
627
Homogeneous ice nucleation rates for mW and TIP4P/ICE models through Lattice Mold calculations
(2022)
(doi: 10.26434/chemrxiv-2022-2k8g5)
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] (Applied Surface Science (2020) 532, (S0169433220321176), (10.1016/j.apsusc.2020.147360))
Applied Surface Science
(2022)
585
152809
(doi: 10.1016/j.apsusc.2022.152809)
Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci
(2022)
9
880432
(doi: 10.3389/fmolb.2022.880432)
Determination of the structure and dynamics of the fuzzy coat of an amyloid fibril of IAPP using cryo-electron microscopy
(2022)
(doi: 10.1101/2022.05.29.493873)
MolE8: finding DFT potential energy surface minima values from force-field optimised organic molecules with new machine learning representations.
Chem Sci
(2022)
13
7204
(doi: 10.1039/d1sc06324c)
Alternating one-phase and two-phase crystallization mechanisms in octahedral patchy colloids
(2022)
(doi: 10.26434/chemrxiv-2022-sm80v)
Long-term solar water and CO2 splitting with photoelectrochemical BiOI-BiVO4 tandems
Nature materials
(2022)
21
864
(doi: 10.1038/s41563-022-01262-w)
Investigating the structural changes due to adenosine methylation of the Kaposi's sarcoma-associated herpes virus ORF50 transcript.
PLoS computational biology
(2022)
18
e1010150
(doi: 10.1371/journal.pcbi.1010150)
Upgrading the Protein Formulation Toolbox through Predictive and Explanatory Models
(2022)
(doi: 10.17863/CAM.86461)
Nested sampling for physical scientists
Nature Reviews Methods Primers
(2022)
2
39
(doi: 10.1038/s43586-022-00121-x)
Towards understanding solvation effects on the conformational entropy of non-rigid molecules.
Physical Chemistry Chemical Physics
(2022)
24
12249
(doi: 10.1039/d1cp05805c)
Elucidating the Implications of Morphology on Fundamental Characteristics of Nickel-Rich NCMs: Cracking, Gassing, Rate Capability, and Thermal Stability of Poly-and Single-Crystalline NCM622
Journal of The Electrochemical Society
(2022)
169
050501
(doi: 10.1149/1945-7111/ac5f7f)
Deep‐Sea Discovery and Detective Work: Towards Solving the Hemicalide Structural Enigma through Computational NMR Analysis and Stereocontrolled Synthesis
European Journal of Organic Chemistry
(2022)
2022
ARTN e202200467
(doi: 10.1002/ejoc.202200467)
Polysaccharide metabolism regulates structural colour in bacterial colonies.
Journal of the Royal Society, Interface
(2022)
19
505
(doi: 10.1098/rsif.2022.0181)
