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  • Currently displaying 10201 - 10220 of 30637 publications
Author(s)
Publication title
Journal Name
Publication year
Evidence for stable square ice from quantum Monte Carlo
J Chen, A Zen, JG Brandenburg, D Alfè, A Michaelides
Physical Review B
(2016)
94
QTAIM and Stress Tensor Interpretation of the (H2O)5 Potential Energy Surface
T Xu, J Farrell, Y Xu, R Momen, SR Kirk, S Jenkins, DJ Wales
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2016)
37
Controllable Supramolecular Polymerization Promoted by Host-Enhanced Photodimerization.
Y Kang, Z Cai, Z Huang, X Tang, J-F Xu, X Zhang
ACS macro letters
(2016)
5
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)
8
Ice formation on kaolinite: Insights from molecular dynamics simulations.
GC Sosso, GA Tribello, A Zen, P Pedevilla, A Michaelides
The Journal of Chemical Physics
(2016)
145
Parameterization of Water Electrooxidation Catalyzed by Metal Oxides Using Fourier Transformed Alternating Current Voltammetry.
SA Bonke, AM Bond, L Spiccia, AN Simonov
Journal of the American Chemical Society
(2016)
138
Probing helical transitions in a DNA duplex†
DJ Wales, D Chakraborty
Physical Chemistry Chemical Physics
(2016)
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)
38
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
One-Pot Synthesis of Amino Acid-Based Polyelectrolytes and Nanoparticle Synthesis.
S Mommer, H Keul, M Möller
Biomacromolecules
(2016)
18
Competing charge transfer pathways at the photosystem II-electrode interface
JZ Zhang, KP Sokol, N Paul, E Romero, R van Grondelle, E Reisner
Nature chemical biology
(2016)
12
Breakthroughs bring THz spectroscopy, sensing closer to mainstream
M Razeghi, LU Quanyong, S Manna, WU Donghai, S Slivken
Photonics Spectra
(2016)
50
C-H activation: Complex peptides made simple.
S Bartlett, DR Spring
Nature Chemistry
(2016)
9
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)
11
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)
16
Diamidonaphthalenodipyrrole-derived fluorescent sensors for anions
J Jurczak, P Dydio, P Stepniak, T Zielinski
Sensors and Actuators B Chemical
(2016)
237
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)
30
Engineering chemistry: integrating batch and flow reactions on a single, automated reactor platform
DE Fitzpatrick, SV Ley
Reaction Chemistry & Engineering
(2016)
1
A randomized control trial evaluating fluorescent ink $\textit{versus}$ dark ink tattoos for breast radiotherapy
SJ Landeg, AM Kirby, SF Lee, F Bartlett, K Titmarsh, E Donovan, CL Griffin, L Gothard, I Locke, HA McNair
British Journal of Radiology
(2016)
89
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)
61