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- Currently displaying 5901 - 5920 of 30196 publications
NWChem: Past, present, and future.
The Journal of chemical physics
(2020)
152
184102
(doi: 10.1063/5.0004997)
Technical note: Low meteorological influence found in 2019 Amazonia fires
(2020)
(doi: 10.5194/bg-2020-123)
Band Positions of Anatase (001) and (101) Surfaces in Contact with Water from Density Functional Theory
(2020)
Band Positions of Anatase (001) and (101) Surfaces in Contact with Water from Density Functional Theory
(2020)
(doi: 10.26434/chemrxiv.12263837)
A kinetic ensemble of the Alzheimer’s Aβ peptide
(2020)
2020.05.07.082818
(doi: 10.1101/2020.05.07.082818)
Disorder by design: A data-driven approach to amorphous semiconductors without total-energy functionals
Scientific Reports
(2020)
10
7742
(doi: 10.1038/s41598-020-64327-3)
Strong Circular Dichroism in Single Gyroid Optical Metamaterials
Advanced Optical Materials
(2020)
8
1902131
(doi: 10.1002/adom.201902131)
Reentrant liquid condensate phase of proteins is stabilized by hydrophobic and non-ionic interactions
BIOPHYSICAL JOURNAL
(2020)
120
2020.05.04.076299
(doi: 10.1101/2020.05.04.076299)
Guest Binding Drives Host Redistribution in Libraries of CoII4L4 Cages
Angewandte Chemie
(2020)
132
11465
(doi: 10.1002/ANGE.202004627)
Assessing the Onset of Calcium Phosphate Nucleation by Hyperpolarized Real-Time NMR.
Analytical chemistry
(2020)
92
7666
(doi: 10.1021/acs.analchem.0c00516)
Understanding Surface Recombination Processes Using Intensity‐Modulated Photovoltage Spectroscopy on Hematite Photoanodes for Solar Water Splitting
Helvetica Chimica Acta
(2020)
103
ARTN e2000064
(doi: 10.1002/hlca.202000064)
A synthetic mechanogenetic gene circuit for autonomous drug delivery in engineered tissues
(2020)
(doi: 10.1242/prelights.20154)
Evaluating the simulated radiative forcings, aerosol properties and stratospheric warmings from the 1963 Agung, 1982 El Chichón and 1991 Mt Pinatubo volcanic aerosol clouds
(2020)
2020
1
(doi: 10.5194/acp-2020-344)
Precise installation of diazo-tagged side-chains on proteins to enable in vitro and in-cell site-specific labelling
Bioconjugate chemistry
(2020)
31
1604
Design, Synthesis, and Characterization of the Macrocyclic Tetrapeptide cyclo[Pro-Sar-Phe‑d‑Phe]: A Mixed Opioid Receptor Agonist–Antagonist Following Oral Administration
ACS chemical neuroscience
(2020)
11
1324
(doi: 10.1021/acschemneuro.0c00086)
Using Predicted Bioactivity Profiles to Improve Predictive Modeling
J Chem Inf Model
(2020)
60
2830
(doi: 10.1021/acs.jcim.0c00250)
Selective NMR observation of the SEI-metal interface by dynamic nuclear polarisation from lithium metal
Nature communications
(2020)
11
2224
(doi: 10.1038/s41467-020-16114-x)
Seeking Heteroatom-Rich Compounds: Synthetic and Mechanistic Studies into Iron Catalyzed Dehydrocoupling of Silanes
ACS Catalysis
(2020)
10
6102
(doi: 10.1021/acscatal.0c01440)
Supplementary material to "Evaluating the simulated radiative forcings, aerosol properties and stratospheric warmings from the 1963 Agung, 1982 El Chichón and 1991 Mt Pinatubo volcanic aerosol clouds"
(2020)
Guest Binding Drives Host Redistribution in Libraries of CoII4L4 Cages
Angew Chem Int Ed Engl
(2020)
59
11369
(doi: 10.1002/anie.202004627)