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- Currently displaying 8501 - 8520 of 29657 publications
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium.
The Journal of chemical physics
(2017)
148
102310
(doi: 10.1063/1.4996819)
Understanding of the Electrogenerated Bulk Electrolyte Species in Sodium-Containing Ionic Liquid Electrolytes during the Oxygen Reduction Reaction
The Journal of Physical Chemistry C
(2017)
121
23307
(doi: 10.1021/acs.jpcc.7b07547)
Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature
(2017)
Ion Dynamics and CO2 Absorption Properties of Nb-, Ta-, and Y-Doped Li2ZrO3 Studied by Solid-State NMR, Thermogravimetry, and First-Principles Calculations
Journal of Physical Chemistry C
(2017)
121
21877
(doi: 10.1021/acs.jpcc.7b05888)
Directed γ‑C(sp3)–H Alkylation of Carboxylic Acid Derivatives through Visible Light Photoredox Catalysis
J Am Chem Soc
(2017)
139
14897
(doi: 10.1021/jacs.7b09306)
Cation-Induced Stabilization and Denaturation of DNA Origami Nanostructures in Urea and Guanidinium Chloride
Small
(2017)
13
1702100
(doi: 10.1002/smll.201702100)
A Water-Bridged Cysteine-Cysteine Redox Regulation Mechanism in Bacterial Protein Tyrosine Phosphatases.
Chem
(2017)
3
665
(doi: 10.1016/j.chempr.2017.07.009)
Cloud Processing of Secondary Organic Aerosol from Isoprene and Methacrolein Photooxidation
The Journal of Physical Chemistry A
(2017)
121
7641
(doi: 10.1021/acs.jpca.7b05933)
Polymeric Redox-Active Electrodes for Sodium-Ion Batteries.
ChemSusChem
(2017)
11
311
(doi: 10.1002/cssc.201701471)
Tuning Photoluminescent Properties of Silver(I)-Based Coordination Networks through their Supramolecular Interactions
Crystal Growth & Design
(2017)
17
5965
(doi: 10.1021/acs.cgd.7b01082)
Fully Automated Quantum‐Chemistry‐Based Computation of Spin–Spin‐Coupled Nuclear Magnetic Resonance Spectra
Angewandte Chemie International Edition
(2017)
56
14763
(doi: 10.1002/anie.201708266)
Immunization with α-synuclein/Grp94 reshapes peripheral immunity and suppresses microgliosis in a chronic Parkinsonism model
Glia
(2017)
66
191
(doi: 10.1002/glia.23237)
Thermodynamics of Polypeptide Supramolecular Assembly in the Short-Chain Limit
Journal of the American Chemical Society
(2017)
139
16134
(doi: 10.1021/jacs.7b00229)
Epitaxial Growth of Hetero‐Ln‐MOF Hierarchical Single Crystals for Domain‐ and Orientation‐Controlled Multicolor Luminescence 3D Coding Capability
Angewandte Chemie
(2017)
129
14774
(doi: 10.1002/ange.201708802)
Epitaxial Growth of Hetero‐Ln‐MOF Hierarchical Single Crystals for Domain‐ and Orientation‐Controlled Multicolor Luminescence 3D Coding Capability
Angewandte Chemie International Edition
(2017)
56
14582
(doi: 10.1002/anie.201708802)
Integrative structure modeling with the Integrative Modeling Platform.
Protein Science
(2017)
27
245
(doi: 10.1002/pro.3311)
Geometry Optimization with Machine Trained Topological Atoms.
Scientific Reports
(2017)
7
12817
(doi: 10.1038/s41598-017-12600-3)
Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal–Organic Framework
Journal of the American Chemical Society
(2017)
139
16000
(doi: 10.1021/jacs.7b09983)