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  • Currently displaying 5001 - 5020 of 31102 publications
Author(s)
Publication title
Journal Name
Publication year
Lanthanide-based single-molecule magnets: A rational design by chemical intuition
DC Izuogu
(2021)
On the “Matsubara heating” of overtone intensities and Fermi splittings
RL Benson, SC Althorpe
The Journal of Chemical Physics
(2021)
155
In silico approaches in organ toxicity hazard assessment: Current status and future needs in predicting liver toxicity
A Bassan, VM Alves, A Amberg, LT Anger, S Auerbach, L Beilke, A Bender, MTD Cronin, KP Cross, J-H Hsieh, N Greene, R Kemper, MT Kim, M Mumtaz, T Noeske, M Pavan, J Pletz, DP Russo, Y Sabnis, M Schaefer, DT Szabo, J-P Valentin, J Wichard, D Williams, D Woolley, C Zwickl, GJ Myatt
Computational Toxicology
(2021)
20
Myths of high-throughput experimentation and automation in chemistry
MJ Gaunt, JM Janey, DM Schultz, T Cernak
Chem
(2021)
7
Visible light-mediated radical fluoromethylation via halogen atom transfer activation of fluoroiodomethane.
PJ Deneny, R Kumar, MJ Gaunt
Chemical science
(2021)
12
The Influence of Chemical and Mineral Compositions on the Parameterization of Immersion Freezing by Volcanic Ash Particles
NS Umo, R Ullrich, EC Maters, I Steinke, N Benker, K Höhler, R Wagner, PG Weidler, GA Hoshyaripour, A Kiselev, U Kueppers, K Kandler, DB Dingwell, T Leisner, O Möhler
Journal of Geophysical Research Atmospheres
(2021)
126
Challenges in modelling diffusiophoretic transport
S Ramírez-Hinestrosa, D Frenkel
(2021)
Understanding the interaction of organic corrosion inhibitors with copper at the molecular scale: Benzotriazole on Cu(110)
M Turano, M Walker, F Grillo, C Gattinoni, J Edmondson, O Adesida, G Hunt, P Kirkman, NV Richardson, CJ Baddeley, A Michaelides, G Costantini
Applied Surface Science
(2021)
570
Impacts of Hydroperoxymethyl Thioformate on the Global Marine Sulfur Budget
MAH Khan, TJ Bannan, R Holland, DE Shallcross, AT Archibald, E Matthews, A Back, J Allan, H Coe, P Artaxo, CJ Percival
ACS Earth and Space Chemistry
(2021)
5
Truce–Smiles Rearrangements by Strain Release: Harnessing Primary Alkyl Radicals for Metal‐Free Arylation
DM Whalley, J Seayad, MF Greaney
Angewandte Chemie International Edition
(2021)
60
Inhibition of Class A β-Lactamase (TEM-1) by Narrow Fractions of Humic Substances
TA Mikhnevich, AV Vyatkina Turkova, VG Grigorenko, MY Rubtsova, GD Rukhovich, MA Letarova, DS Kravtsova, SA Vladimirov, AA Orlov, EN Nikolaev, A Zherebker, IV Perminova
ACS Omega
(2021)
6
Overcoming Metastable CO2 Adsorption in a Bulky Diamine-Appended Metal–Organic Framework
B Dinakar, AC Forse, HZH Jiang, Z Zhu, J-H Lee, EJ Kim, ST Parker, CJ Pollak, RL Siegelman, PJ Milner, JA Reimer, JR Long
J Am Chem Soc
(2021)
143
Minimal Design Principles for Icosahedral Virus Capsids
M Martín-Bravo, JMG Llorente, J Hernández-Rojas, DJ Wales
ACS nano
(2021)
15
New Frontiers for Machine Learning in Protein Science.
AS Morgunov, KL Saar, M Vendruscolo, TPJ Knowles
J Mol Biol
(2021)
433
Aggregation condition–structure relationship of mouse prion protein fibrils
J Fridmanis, Z Toleikis, T Sneideris, M Ziaunys, R Bobrovs, V Smirnovas, K Jaudzems
International journal of molecular sciences
(2021)
22
Halogen‐Bonding Strapped Porphyrin BODIPY Rotaxanes for Dual Optical and Electrochemical Anion Sensing
Y Cheong Tse, R Hein, EJ Mitchell, Z Zhang, PD Beer
Chemistry - A European Journal
(2021)
27
Iron(II)-Catalyzed Aerobic Biomimetic Oxidation of N-Heterocycles.
S Manna, W-J Kong, J-E Bäckvall
Chemistry A European Journal
(2021)
27
Single-route delaminated clay composites for efficient visible-light photo-mineralization of antibiotic-resistant bacteria and associated genes in water
CG Ugwuja, D Olorunnisola, A Ogunlaja, OO Adelowo, A Taubert, GA Kolawole, OD Olukanni, JN Uwanibe, AT Kayode, P Hesemann, D Fatta-Kassinos, TAM Msagati, OA Folarin, SM Clarke, EI Unuabonah
Applied Catalysis B Environment and Energy
(2021)
292
Assessment of Therapeutic Antibody Developability by Combinations of In Vitro and In Silico Methods.
A-M Wolf Pérez, N Lorenzen, M Vendruscolo, P Sormanni
Methods in Molecular Biology
(2021)
2313
Protein Structure Prediction Using a Maximum Likelihood Formulation of a Recurrent Geometric Network
G Qi, MR Tollefson, RA Gogal, RJH Smith, M AlQuraishi, MJ Schnieders
(2021)