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  • Currently displaying 9961 - 9980 of 31597 publications
Author(s)
Publication title
Journal Name
Publication year
Constant-pressure nested sampling with atomistic dynamics.
RJN Baldock, N Bernstein, KM Salerno, LB Pártay, G Csányi
Physical Review E
(2017)
96
The Effects of Cathodic Reagent Concentration and Small Solution Volumes on the Corrosion of Copper in Dilute Nitric Acid Solutions
J Turnbull, R Szukalo, M Behazin, D Hall, D Zagidulin, S Ramamurthy, JC Wren, DW Shoesmith
Corrosion
(2017)
74
Data-driven learning of total and local energies in elemental boron
VL Deringer, CJ Pickard, G Csányi
(2017)
Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivatives.
YS Al-Hamdani, A Michaelides, OA von Lilienfeld
Journal of Chemical Physics
(2017)
147
Stereocontrolled Semisyntheses of Elliptone and 12aβ-Hydroxyelliptone.
DA Russell, WJS Fong, DG Twigg, HF Sore, DR Spring
Journal of natural products
(2017)
80
Supramolecular systems at liquid-solid interfaces: General discussion
D Amabilino, I Bâldea, P Besenius, P Beton, M Blunt, M Buck, NR Champness, L Chi, S Clarke, G Costantini, S De Feyter, Y Diaz Fernandez, D Dwivedi, K-H Ernst, A Flood, B Hirsch, R Jones, A Kühnle, M Lackinger, TR Linderoth, N Martsinovich, A Mount, M Nalbach, C-M Pradier, T Rahman, R Raval, N Robinson, M Sacchi, S Schwaminger, SL Tait, P Woodruff, H Zuilhof
Faraday Discussions
(2017)
204
Preparing macromolecular systems on surfaces: general discussion
D Amabilino, I Bâldea, O Barykina, J Batteas, P Besenius, P Beton, N Bilbao, M Buck, L Chi, S Clarke, G Costantini, J Davidson, P Davies, S De Feyter, Y Diaz Fernandez, D Dwivedi, K-H Ernst, A Flood, J Gautrot, A Jabbarzadeh, V Korolkov, A Kühnle, M Lackinger, C-M Pradier, T Rahman, R Raval, S Schwaminger, J Seibel, SL Tait, J Teyssandier, H Zuilhof
Faraday Discuss.
(2017)
204
Challenges and discoveries in the total synthesis of complex polyketide natural products
I Paterson, NYS Lam
Journal of Antibiotics
(2017)
71
Mapping SERS in CB:Au Plasmonic Nano-Aggregates
C Carnegie, R Chikkaraddy, F Benz, B de Nijs, WM Deacon, M Horton, W Wang, C Readman, SJ Barrow, OA Scherman, JJ Baumberg
ACS Photonics
(2017)
4
Understanding a Hydroformylation Catalyst that Produces Branched Aldehydes from Alkyl Alkenes
P Dingwall, JA Fuentes, LE Crawford, AMZ Slawin, M Bühl, ML Clarke
J Am Chem Soc
(2017)
139
Electrochemical Reduction of CO2 into Multicarbon Alcohols on Activated Cu Mesh Catalysts: An Identical Location (IL) Study
M Rahaman, A Dutta, A Zanetti, P Broekmann
ACS Catalysis
(2017)
7
Reversible Iodine Capture by Nonporous Pillar[6]arene Crystals.
K Jie, Y Zhou, E Li, Z Li, R Zhao, F Huang
J Am Chem Soc
(2017)
139
A Lewis Base Catalysis Approach for the Photoredox Activation of Boronic Acids and Esters
F Lima, UK Sharma, L Grunenberg, D Saha, S Johannsen, J Sedelmeier, EV Van der Eycken, SV Ley
Angewandte Chemie
(2017)
129
Importance of Sulfate Radical Anion Formation and Chemistry in Heterogeneous OH Oxidation of Sodium Methyl Sulfate, the Smallest Organosulfate
KC Kwong, MM Chim, JF Davies, KR Wilson, MN Chan
(2017)
Understanding LiOH Chemistry in a Ruthenium-Catalyzed Li-O2 Battery.
T Liu, Z Liu, G Kim, JT Frith, N Garcia-Araez, CP Grey
Angewandte Chemie International Edition
(2017)
56
Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations
F Paul, C Wehmeyer, ET Abualrous, H Wu, MD Crabtree, J Schöneberg, J Clarke, C Freund, TR Weikl, F Noé
Nature communications
(2017)
8
Structure and Thermodynamics of Metal Clusters on Atomically Smooth Substrates
M Eckhoff, D Schebarchov, DJ Wales
J Phys Chem Lett
(2017)
8
Match-Making Reactors to Chemistry: A Continuous Manufacturing-Enabled Sequence to a Key Benzoxazole Pharmaceutical Intermediate
F Susanne, B Martin, M Aubry, J Sedelmeier, F Lima, S Sevinc, L Piccioni, J Haber, B Schenkel, F Venturoni
Organic Process Research and Development
(2017)
21
Conversion of Alcohols to Phosphorothiolates Using a Thioiminium Salt as Coupling Agent.
H Grounds, K Ermanis, SA Newgas, MJ Porter
Journal of Organic Chemistry
(2017)
82
Enhancing Distorted Metal–Organic Framework-Derived ZnO as Anode Material for Lithium Storage by the Addition of Ag2S Quantum Dots
W Song, R Brugge, IG Theodorou, AL Lim, Y Yang, T Zhao, CH Burgess, ID Johnson, A Aguadero, PR Shearing, DJL Brett, F Xie, DJ Riley
ACS Appl Mater Interfaces
(2017)
9