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- Currently displaying 10201 - 10220 of 30637 publications
Evidence for stable square ice from quantum Monte Carlo
Physical Review B
(2016)
94
220102
(doi: 10.1103/physrevb.94.220102)
QTAIM and Stress Tensor Interpretation of the (H2O)5 Potential Energy Surface
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2016)
37
2712
(doi: 10.1002/jcc.24498)
Controllable Supramolecular Polymerization Promoted by Host-Enhanced Photodimerization.
ACS macro letters
(2016)
5
1397
(doi: 10.1021/acsmacrolett.6b00871)
A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: Reliability-density neighbourhood
Journal of Cheminformatics
(2016)
8
69
(doi: 10.1186/s13321-016-0182-y)
Ice formation on kaolinite: Insights from molecular dynamics simulations.
The Journal of Chemical Physics
(2016)
145
211927
(doi: 10.1063/1.4968796)
Parameterization of Water Electrooxidation Catalyzed by Metal Oxides Using Fourier Transformed Alternating Current Voltammetry.
Journal of the American Chemical Society
(2016)
138
16095
(doi: 10.1021/jacs.6b10304)
Probing helical transitions in a DNA duplex†
Physical Chemistry Chemical Physics
(2016)
(doi: 10.1039/C6CP06309H)
Electronic Absorption Spectra of Pyridine and Nicotine in Aqueous Solution with a Combined Molecular Dynamics and Polarizable QM/MM Approach
Journal of computational chemistry
(2016)
38
319
(doi: 10.1002/jcc.24683)
Use of optoelectronic tweezers in manufacturing-accurate solder bead positioning
Applied Physics Letters
(2016)
109
221110
(doi: 10.1063/1.4971348)
One-Pot Synthesis of Amino Acid-Based Polyelectrolytes and Nanoparticle Synthesis.
Biomacromolecules
(2016)
18
159
(doi: 10.1021/acs.biomac.6b01420)
Competing charge transfer pathways at the photosystem II-electrode interface
Nature chemical biology
(2016)
12
1046
(doi: 10.1038/NCHEMBIO.2192)
Breakthroughs bring THz spectroscopy, sensing closer to mainstream
Photonics Spectra
(2016)
50
48
Bayesian Analysis of Continuous Time Markov Chains with Application to Phylogenetic Modelling
Bayesian Analysis
(2016)
11
1203
(doi: 10.1214/15-BA982)
Using δ¹³C-CH₄ and δD-CH₄ to constrain Arctic methane emissions
Atmospheric Chemistry and Physics
(2016)
16
14891
(doi: 10.5194/acp-16-14891-2016)
Diamidonaphthalenodipyrrole-derived fluorescent sensors for anions
Sensors and Actuators B Chemical
(2016)
237
621
(doi: 10.1016/j.snb.2016.06.142)
Ultra long-lived electron-hole separation within water-soluble colloidal ZnO nanocrystals: Prospective applications for solar energy production
Nano Energy
(2016)
30
187
(doi: 10.1016/j.nanoen.2016.09.045)
Engineering chemistry: integrating batch and flow reactions on a single, automated reactor platform
Reaction Chemistry & Engineering
(2016)
1
629
(doi: 10.1039/c6re00160b)
A randomized control trial evaluating fluorescent ink $\textit{versus}$ dark ink tattoos for breast radiotherapy
British Journal of Radiology
(2016)
89
20160288
(doi: 10.1259/bjr.20160288)
CHANGES IN SECONDARY METABOLITES PROFILES AND BIOLOGICAL ACTIVITY OF THE FRESH FRUITING BODIES OF Stereum hirsutum EXPOSED TO HIGH-DOSE UV-B RADIATION
Journal of the Chilean Chemical Society
(2016)
61
3224