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- Currently displaying 8461 - 8480 of 29877 publications
Charge-transfer excited states: Seeking a balanced and efficient wave function ansatz in variational Monte Carlo.
J Chem Phys
(2017)
147
194101
(doi: 10.1063/1.4998197)
Structural properties of transition-metal clusters via force-biased Monte Carlo and ab initio calculations: A comparative study
Physical Review B
(2017)
96
174208
(doi: 10.1103/PhysRevB.96.174208)
An Analysis of Artificial and Natural Graphite in Lithium Ion Pouch Cells Using Ultra-High Precision Coulometry, Isothermal Microcalorimetry, Gas Evolution, Long Term Cycling and Pressure Measurements
Journal of The Electrochemical Society
(2017)
164
A3545
(doi: 10.1149/2.0421714jes)
Highlights from Faraday Discussion FDSERS17: Surface Enhanced Raman Scattering – SERS, Glasgow, UK, 30th August–1st September 2017
Chemical communications (Cambridge, England)
(2017)
53
12726
(doi: 10.1039/c7cc90411h)
Simultaneous Determination of Protein Structure and Dynamics Using Cryo-Electron Microscopy
(2017)
219972
(doi: 10.1101/219972)
Quantifying, Understanding and Evaluating the Effects of Gas Consumption in Lithium-Ion Cells
Journal of The Electrochemical Society
(2017)
164
A3518
(doi: 10.1149/2.0191714jes)
Doubling the power of DP4 for computational structure elucidation.
Organic & biomolecular chemistry
(2017)
15
8998
(doi: 10.1039/c7ob01379e)
Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published?
Journal of Chemical Information and Modeling
(2017)
57
2741
(doi: 10.1021/acs.jcim.7b00295)
Online Differential Thermal Isotope Analysis of Hydration Water in Minerals by Cavity Ringdown Laser Spectroscopy.
Analytical Chemistry
(2017)
90
752
(doi: 10.1021/acs.analchem.7b03136)
Synthesis of isomerically pure δ-chloro-γ-vinylketones
Russian Journal of General Chemistry
(2017)
87
2472
(doi: 10.1134/s1070363217100310)
The solid-electrolyte interphase formation reactions of ethylene sulfate and its synergistic chemistry with prop-1-ene-1,3-sultone in lithium-ion cells
Journal of The Electrochemical Society
(2017)
164
A3445
(doi: 10.1149/2.0181714jes)
MobiDB 3.0: more annotations for intrinsic disorder, conformational diversity and interactions in proteins.
Nucleic Acids Res
(2017)
46
D471
(doi: 10.1093/nar/gkx1071)
Origin of Photoelectrochemical Generation of Dihydrogen by a Dye-Sensitized Photocathode without an Intentionally Introduced Catalyst
Journal of Physical Chemistry C
(2017)
121
25836
(doi: 10.1021/acs.jpcc.7b08067)
In Silico Prediction of Compounds Binding to Human Plasma Proteins by QSAR Models
Chemmedchem
(2017)
13
572
(doi: 10.1002/cmdc.201700582)
Infrared spectroscopy of ammonia on iron: Adsorption, synthesis, and the influence of oxygen
The Journal of Physical Chemistry C
(2017)
121
24594
(doi: 10.1021/acs.jpcc.7b07494)
An update of the Worldwide Integrated Assessment (WIA) on systemic insecticides. Part 2: impacts on organisms and ecosystems
Environ Sci Pollut Res Int
(2017)
28
11749
(doi: 10.1007/s11356-017-0341-3)
In Situ Characterization of Interfaces Relevant for Efficient Photoinduced Reactions
Advanced Materials Interfaces
(2017)
4
1601118
(doi: 10.1002/admi.201601118)
Analysis of the natively unstructured RNA/protein-recognition core in the Escherichia coli RNA degradosome and its interactions with regulatory RNA/Hfq complexes
Nucleic acids research
(2017)
46
387
(doi: 10.1093/nar/gkx1083)
Ultrafast Protein Folding in Membrane-Mimetic Environments
J Mol Biol
(2017)
430
554
(doi: 10.1016/j.jmb.2017.10.031)
Delivery of Native Proteins into C-elegans Using a Transduction Protocol Based on Lipid Vesicles
Scientific Reports
(2017)
7
15045
(doi: 10.1038/s41598-017-13755-9)