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- Currently displaying 3701 - 3720 of 29853 publications
On the "Matsubara heating" of overtone intensities and Fermi splittings.
Journal of Chemical Physics
(2021)
155
104107
(doi: 10.1063/5.0056829)
In silico approaches in organ toxicity hazard assessment: Current status and future needs in predicting liver toxicity
Comput Toxicol
(2021)
20
100187
(doi: 10.1016/j.comtox.2021.100187)
Myths of high-throughput experimentation and automation in chemistry
Chem
(2021)
7
2259
(doi: 10.1016/j.chempr.2021.08.012)
Impacts of Hydroperoxymethyl Thioformate on the Global Marine Sulfur Budget
ACS Earth and Space Chemistry
(2021)
5
2577
The Influence of Chemical and Mineral Compositions on the Parameterization of Immersion Freezing by Volcanic Ash Particles
Journal of Geophysical Research: Atmospheres
(2021)
126
e2020JD033356
(doi: 10.1029/2020JD033356)
Visible light-mediated radical fluoromethylation via halogen atom transfer activation of fluoroiodomethane
Chemical Science
(2021)
12
12812
(doi: 10.1039/d1sc04554g)
Inhibition of Class A β-Lactamase (TEM-1) by Narrow Fractions of Humic Substances.
ACS omega
(2021)
6
23873
(doi: 10.1021/acsomega.1c02841)
Overcoming Metastable CO2 Adsorption in a Bulky Diamine-Appended Metal-Organic Framework
Journal of the American Chemical Society
(2021)
143
15258
(doi: 10.1021/jacs.1c06434)
Truce–Smiles Rearrangements by Strain Release: Harnessing Primary Alkyl Radicals for Metal‐Free Arylation
Angewandte Chemie International Edition
(2021)
60
22219
(doi: 10.1002/anie.202108240)
Minimal Design Principles for Icosahedral Virus Capsids.
ACS nano
(2021)
15
14873
(doi: 10.1021/acsnano.1c04952)
New Frontiers for Machine Learning in Protein Science
J Mol Biol
(2021)
433
167232
(doi: 10.1016/j.jmb.2021.167232)
Aggregation Condition–Structure Relationship of Mouse Prion Protein Fibrils
Int J Mol Sci
(2021)
22
9635
(doi: 10.3390/ijms22179635)
Halogen‐Bonding Strapped Porphyrin BODIPY Rotaxanes for Dual Optical and Electrochemical Anion Sensing
Chemistry (Weinheim an der Bergstrasse, Germany)
(2021)
27
14550
(doi: 10.1002/chem.202102493)
Iron(II)-Catalyzed Aerobic Biomimetic Oxidation of N-Heterocycles.
Chemistry A European Journal
(2021)
27
13725
(doi: 10.1002/chem.202102483)
Single-route delaminated clay composites for efficient visible-light photo-mineralization of antibiotic-resistant bacteria and associated genes in water
Applied Catalysis B Environment and Energy
(2021)
292
120143
(doi: 10.1016/j.apcatb.2021.120143)
Protein Structure Prediction Using a Maximum Likelihood Formulation of a Recurrent Geometric Network
(2021)
2021.09.03.458873
(doi: 10.1101/2021.09.03.458873)
Assessment of Therapeutic AntibodyDevelopability by Combinations of In Vitro and In Silico Methods
Methods in Molecular Biology
(2021)
2313
57
(doi: 10.1007/978-1-0716-1450-1_4)
Prediction and identification of synergistic compound combinations against pancreatic cancer cells
iScience
(2021)
24
103080
(doi: 10.1016/j.isci.2021.103080)
A fast, low-energy multi-state phase-change artificial synapse based on uniform partial-state transitions
APL Materials
(2021)
9
091103
(doi: 10.1063/5.0056656)
Synthesis of a Diverse and Three-Dimensional Fragment Collection and The Development of a Novel Platform for Antibody Dual Functionalisation
(2021)
(doi: 10.17863/CAM.78998)