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  • Currently displaying 10321 - 10340 of 29625 publications
Author(s)
Publication title
Journal Name
Publication year
Rovibrational transitions of the methane-water dimer from intermolecular quantum dynamical computations.
J Sarka, AG Császár, SC Althorpe, DJ Wales, E Mátyus
Phys Chem Chem Phys
(2016)
18
Modelling the local atomic structure of molybdenum in nuclear waste glasses with ab initio molecular dynamics simulations.
K Konstantinou, PV Sushko, DM Duffy
Physical Chemistry Chemical Physics
(2016)
18
Self-assembly of colloidal magnetic particles: Energy landscapes and structural transitions
J Hernández-Rojas, D Chakrabarti, DJ Wales
Physical Chemistry Chemical Physics
(2016)
18
The catalytic effect of TiO 2 nanosheets on extracellular electron transfer of Shewanella loihica PV-4
T Yin, H Li, L Su, S Liu, C Yuan, D Fu
Physical chemistry chemical physics : PCCP
(2016)
18
The computational prediction of Raman and ROA spectra of charged histidine tautomers in aqueous solution
S Cardamone, BA Caine, E Blanch, MG Lizio, PLA Popelier
Physical Chemistry Chemical Physics
(2016)
18
Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates.
JR Cendagorta, A Powers, TJH Hele, O Marsalek, Z Bačić, ME Tuckerman
Physical Chemistry Chemical Physics
(2016)
18
Temperature dependence of cross-effect dynamic nuclear polarization in rotating solids: advantages of elevated temperatures
M-A Geiger, M Orwick-Rydmark, K Märker, WT Franks, D Akhmetzyanov, D Stöppler, M Zinke, E Specker, M Nazaré, A Diehl, B-J van Rossum, F Aussenac, T Prisner, Ü Akbey, H Oschkinat
Physical Chemistry Chemical Physics
(2016)
18
Hydroisomerization and hydrocracking activity enhancement of a hierarchical ZSM-5 zeolite catalyst via atomic layer deposition of aluminium
SP Sree, J Dendooven, PCMM Magusin, K Thomas, J-P Gilson, F Taulelle, C Detavernier, JA Martens
Catalysis Science & Technology
(2016)
6
Selective hydrogenation of arenes to cyclohexanes in water catalyzed by chitin-supported ruthenium nanoparticles
Y Morioka, A Matsuoka, K Binder, BR Knappett, AEH Wheatley, H Naka
Catalysis Science & Technology
(2016)
6
Visible light driven hydrogen evolution with a noble metal free CuGa2In3S8 nanoparticle system in water
TA Kandiel, GAM Hutton, E Reisner
Catalysis Science & Technology
(2016)
6
Editorial – Flow Chemistry and Catalysis
SV Ley
Catalysis Science & Technology
(2016)
6
Iron(0) mediated C-H activation of 1-hexyne: A mechanistic study using time-resolved infrared spectroscopy
JH Blank, RK Raju, T Yan, EN Brothers, MY Darensbourg, AA Bengali
Dalton Trans
(2016)
45
Alkylzinc diorganophosphates: synthesis, structural diversity and unique ability to incorporate zincoxane units
M Wolska-Pietkiewicz, A Swierkosz, I Justyniak, A Grala, K Sokołowski, J Lewiński
Dalton Trans
(2016)
45
Structure models for the hydrated and dehydrated nitrate-intercalated layered double hydroxide of Li and Al
S Nagendran, G Periyasamy, PV Kamath
Dalton Trans
(2016)
45
Thermoelectricity in the context of renewable energy sources: joining forces instead of competing
V Andrei, K Bethke, K Rademann
Energy and Environmental Science
(2016)
9
Rational wiring of photosystem II to hierarchical indium tin oxide electrodes using redox polymers
KP Sokol, D Mersch, V Hartmann, JZ Zhang, MM Nowaczyk, M Rögner, A Ruff, W Schuhmann, N Plumeré, E Reisner
Energy & Environmental Science
(2016)
9
Structurally stable Mg-doped P2-Na2/3Mn1−yMgyO2 sodium-ion battery cathodes with high rate performance: insights from electrochemical, NMR and diffraction studies
RJ Clément, J Billaud, AR Armstrong, G Singh, T Rojo, PG Bruce, CP Grey
Energy & Environmental Science
(2016)
9
Highly water-soluble three-redox state organic dyes as bifunctional analytes
J Carretero-González, E Castillo-Martínez, M Armand
Energy and Environmental Science
(2016)
9
In situ studies of materials for high temperature CO2 capture and storage
MT Dunstan, SA Maugeri, W Liu, MG Tucker, OO Taiwo, B Gonzalez, PK Allan, MW Gaultois, PR Shearing, DA Keen, AE Phillips, MT Dove, SA Scott, JS Dennis, CP Grey
Faraday discussions
(2016)
192
Lattice mold technique for the calculation of crystal nucleation rates
JR Espinosa, P Sampedro, C Valeriani, C Vega, E Sanz
Faraday Discuss
(2016)
195