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- Currently displaying 4241 - 4260 of 29638 publications
Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: A mode-resolved picture and the effect of molecular size
J Chem Phys
(2021)
154
244109
(doi: 10.1063/5.0052247)
An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 Mpro inhibitor.
Cell Chem Biol
(2021)
28
1795
Interplay between order and disorder in natural photonic structures
2021 Conference on Lasers and Electro Optics Europe and European Quantum Electronics Conference CLEO Europe Eqec 2021
(2021)
00
1
Light in correlated disordered media
Rev. Mod. Phys.
(2021)
95
045003
The Role of Metal–Organic Frameworks in Moderating Platinum-Based Ethanol Electrooxidation Catalysts
The Journal of Physical Chemistry C
(2021)
125
14263
(doi: 10.1021/acs.jpcc.1c02563)
Regional Features of Long-Term Exposure to PM2.5 Air Quality over Asia under SSP Scenarios Based on CMIP6 Models
International journal of environmental research and public health
(2021)
18
6817
(doi: 10.3390/ijerph18136817)
First-principles design of a single-atom-alloy propane dehydrogenation catalyst
Science
(2021)
372
1444
(doi: 10.1126/science.abg8389)
Operando optical tracking of single-particle ion dynamics in batteries
Nature
(2021)
594
522
(doi: 10.1038/s41586-021-03584-2)
Gausemycins A,B: Cyclic Lipoglycopeptides from Streptomyces sp.**
Angewandte Chemie
(2021)
133
18842
(doi: 10.1002/ange.202104528)
Gausemycins A,B: Cyclic Lipoglycopeptides from Streptomyces sp.*.
Angewandte Chemie (International ed. in English)
(2021)
60
18694
(doi: 10.1002/anie.202104528)
Quadrupole-mediated dielectric response and the charge-asymmetric solvation of ions in water.
The Journal of chemical physics
(2021)
154
244502
(doi: 10.1063/5.0051399)
Where is the EU headed given its current climate policy? A stakeholder-driven model inter-comparison
The Science of the total environment
(2021)
793
148549
Transition Metal Dissolution and Degradation in NMC811-Graphite Electrochemical Cells
Journal of The Electrochemical Society
(2021)
168
060518
(doi: 10.1149/1945-7111/ac0359)
Innentitelbild: Gausemycins A,B: Cyclic Lipoglycopeptides from Streptomyces sp. (Angew. Chem. 34/2021)
Angewandte Chemie
(2021)
133
18498
(doi: 10.1002/ange.202107693)
Understanding the Local Chemical Environment of Bioelectrocatalysis
(2021)
(doi: 10.26434/chemrxiv-2021-vnk07)
Inside Cover: Gausemycins A,B: Cyclic Lipoglycopeptides from Streptomyces sp. (Angew. Chem. Int. Ed. 34/2021)
Angewandte Chemie International Edition
(2021)
60
18350
(doi: 10.1002/anie.202107693)
Corrigendum: Perovskite-inspired materials for photovoltaics and beyond-from design to devices (2021Nanotechnology32132004).
Nanotechnology
(2021)
32
379501
(doi: 10.1088/1361-6528/ac074b)
Structural Origins of Voltage Hysteresis in the Na-Ion Cathode P2–Na0.67[Mg0.28Mn0.72]O2: A Combined Spectroscopic and Density Functional Theory Study
Chem Mater
(2021)
33
4890
Distinct responses of human peripheral blood cells to different misfolded protein oligomers.
Immunology
(2021)
164
358
(doi: 10.1111/imm.13377)
Efficient Quantum-Chemical Calculations of Acid Dissociation Constants from Free-Energy Relationships
Journal of Physical Chemistry A
(2021)
125
5681
(doi: 10.1021/acs.jpca.1c03463)