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Currently displaying 9781 - 9800 of 30180 publications

A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood

N Aniceto, AA Freitas, A Bender, T Ghafourian

Journal of Cheminformatics

(2016)

(doi: 10.1186/s13321-016-0182-y)

Parameterization of Water Electrooxidation Catalyzed by Metal Oxides Using Fourier Transformed Alternating Current Voltammetry.

SA Bonke, AM Bond, L Spiccia, AN Simonov

J Am Chem Soc

(2016)

138

16095

(doi: 10.1021/jacs.6b10304)

Use of optoelectronic tweezers in manufacturing-accurate solder bead positioning

S Zhang, Y Liu, J Juvert, P Tian, J-C Navarro, JM Cooper, SL Neale

Applied Physics Letters

(2016)

109

221110

(doi: 10.1063/1.4971348)

Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach.

M Pagliai, G Mancini, I Carnimeo, N De Mitri, V Barone

Journal of computational chemistry

(2016)

319

(doi: 10.1002/jcc.24683)

One-Pot Synthesis of Amino Acid-Based Polyelectrolytes and Nanoparticle Synthesis

S Mommer, H Keul, M Möller

Biomacromolecules

(2016)

159

(doi: 10.1021/acs.biomac.6b01420)

Ice formation on kaolinite: Insights from molecular dynamics simulations

GC Sosso, GA Tribello, A Zen, P Pedevilla, A Michaelides

J Chem Phys

(2016)

145

211927

(doi: 10.1063/1.4968796)

Probing helical transitions in a DNA duplex†

DJ Wales, D Chakraborty

Physical Chemistry Chemical Physics

(2016)

(doi: 10.1039/C6CP06309H)

Breakthroughs bring THz spectroscopy, sensing closer to mainstream

M Razeghi, LU Quanyong, S Manna, WU Donghai, S Slivken

Photonics Spectra

(2016)

Using δ13C-CH4 and δD-CH4 to constrain Arctic methane emissions

NJ Warwick, ML Cain, R Fisher, JL France, D Lowry, SE Michel, EG Nisbet, BH Vaughn, JWC White, JA Pyle

Atmospheric Chemistry and Physics

(2016)

14891

(doi: 10.5194/acp-16-14891-2016)

Diamidonaphthalenodipyrrole-derived fluorescent sensors for anions

J Jurczak, P Dydio, P Stepniak, T Zielinski

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

AM Cieślak, MV Pavliuk, L D’Amario, M Abdellah, K Sokołowski, U Rybinska, DLA Fernandes, MK Leszczyński, F Mamedov, AM El-Zhory, J Föhlinger, A Budinská, M Wolska-Pietkiewicz, L Hammarström, J Lewiński, J Sá

Nano Energy

(2016)

187

(doi: 10.1016/j.nanoen.2016.09.045)

Bayesian Analysis of Continuous Time Markov Chains with Application to Phylogenetic Modelling

T Zhao, Z Wang, A Cumberworth, J Gsponer, N de Freitas, A Bouchard-Côté

Bayesian Analysis

(2016)

1203

(doi: 10.1214/15-ba982)

CHANGES IN SECONDARY METABOLITES PROFILES AND BIOLOGICAL ACTIVITY OF THE FRESH FRUITING BODIES OF Stereum hirsutum EXPOSED TO HIGH-DOSE UV-B RADIATION

S TORRES, J CABRERA-PARDO, F ALONSO, E BUSTOS, C PREZ, G PALFNER, V HERNNDEZ, E URIARTE, J BECERRA

Journal of the Chilean Chemical Society

(2016)

3224

(doi: 10.4067/s0717-97072016000400015)

Development of a baseline-temperature correction methodology for electrochemical sensors and its implications for long-term stability

OAM Popoola, GB Stewart, MI Mead, RL Jones

Atmospheric Environment

(2016)

147

330

(doi: 10.1016/j.atmosenv.2016.10.024)