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Currently displaying 2541 - 2560 of 29414 publications

Deciphering the In Situ Surface Reconstruction of Supercapacitive Bimetallic Ni-Co Oxyphosphide during Electrochemical Activation Using Multivariate Statistical Analyses

AA Saleh, DM Sayed, LAV Nagle-Cocco, G Divitini, LG Ghanem, C Ducati, NK Allam

– ACS Applied Energy Materials

(2022)

7661

(doi: 10.1021/acsaem.2c01122)

Platform for Orthogonal N‑Cysteine-Specific Protein Modification Enabled by Cyclopropenone Reagents

A Istrate, MB Geeson, CD Navo, BB Sousa, MC Marques, RJ Taylor, T Journeaux, SR Oehler, MR Mortensen, MJ Deery, AD Bond, F Corzana, G Jiménez-Osés, GJL Bernardes

– Journal of the American Chemical Society

(2022)

144,

10396

(doi: 10.1021/jacs.2c02185)

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,

10291

(doi: 10.1021/jacs.2c01433)

Novel Ansätze for Stochastic Coupled Cluster

M-A Filip

(2022)

(doi: 10.17863/CAM.89904)

Novel Ansätze for Stochastic Coupled Cluster

M-A Filip

(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,

3637

(doi: 10.1021/acs.jctc.2c00178)

Multilevel simulation of hard-sphere mixtures

PB Rohrbach, H Kobayashi, R Scheichl, NB Wilding, RL Jack

(2022)

(link to publication)

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,

107492

(doi: 10.1016/j.triboint.2022.107492)

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)

(doi: 10.26434/chemrxiv-2022-2k8g5)

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 Chemical Neuroscience

(2022)

13,

1738

(doi: 10.1021/acschemneuro.2c00116)

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,

7256

(doi: 10.1021/acs.langmuir.2c00740)

Formation of Azaphilone Pigments and Monasnicotinic Acid by the Fungus Aspergillus cavernicola

TV Antipova, V Zhelifonova, KV Zaitsev, A Zherebker, B Baskunov, YF Oprunenko

– J Agric Food Chem

(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

A Schmidt, BA Black

(2022)

50,

627

(doi: 10.1146/annurev-earth-080921-052816)

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)

880432

(doi: 10.3389/fmolb.2022.880432)

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, SF Covre da Silva, C Schimpf, MB Rota, B Lehner, M Reindl, R Trotta, A Rastelli

– Applied Surface Science

(2022)

585,

152809

(doi: 10.1016/j.apsusc.2022.152809)

Determination of the structure and dynamics of the fuzzy coat of an amyloid fibril of IAPP using cryo-electron microscopy

F Brotzakis, T Löhr, S Truong, S Hoff, M Bonomi, M Vendruscolo

(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

S Lee, K Ermanis, JM Goodman