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  • Currently displaying 11741 - 11760 of 29680 publications
Author(s)
Publication title
Journal Name
Publication year
Structure Prediction for Multicomponent Materials Using Biminima
D Schebarchov, DJ Wales
Phys Rev Lett
(2014)
113
Large-Scale Density Functional Theory Transition State Searching in Enzymes
G Lever, DJ Cole, R Lonsdale, KE Ranaghan, DJ Wales, AJ Mulholland, C-K Skylaris, MC Payne
The journal of physical chemistry letters
(2014)
5
Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method
Q Lu, J Kim, JD Farrell, DJ Wales, JE Straub
The Journal of chemical physics
(2014)
141
Investigating the Solid-Liquid Phase Transition of Water Nanofilms Using the Generalized Replica Exchange Method
Q Lu, J Kim, JD Farrell, DJ Wales, JE Straub
The Journal of Chemical Physics
(2014)
141
Optimizing the selectivity of surface-adsorbing multivalent polymers
NB Tito, D Frenkel
Macromolecules
(2014)
47
Nitrogen controlled iron catalyst phase during carbon nanotube growth
BC Bayer, C Baehtz, PR Kidambi, RS Weatherup, C Mangler, J Kotakoski, CJL Goddard, S Caneva, A Cabrero-Vilatela, JC Meyer, S Hofmann
Applied Physics Letters
(2014)
105
Tailoring transient-amorphous states: towards fast and power-efficient phase-change memory and neuromorphic computing.
TH Lee, D Loke, K-J Huang, W-J Wang, SR Elliott
Adv Mater
(2014)
26
Phototandem Catalysis: Efficient Synthesis of 3‐Ester‐3‐hydroxy‐2‐oxindoles by a Visible Light‐Induced Cyclization of Diazoamides through an Aerobic Oxidation Sequence
X-D Xia, Y-L Ren, J-R Chen, X-L Yu, L-Q Lu, Y-Q Zou, J Wan, W-J Xiao
Chemistry an Asian Journal
(2014)
10
Single-Molecule Imaging Reveals that Small Amyloid-β1-42 Oligomers Interact with the Cellular Prion Protein (PrPC)
KA Ganzinger, P Narayan, SS Qamar, L Weimann, RT Ranasinghe, A Aguzzi, CM Dobson, J McColl, P St George-Hyslop, D Klenerman
Chembiochem
(2014)
15
Extended Self-Assembled Long Periodicity and Zig-Zag Domains from Helix–Helix Diblock Copolymer Poly(γ-benzyl-l-glutamate)-block-poly(O-benzyl-l-hydroxyproline)
M Gkikas, JS Haataja, J Seitsonen, J Ruokolainen, O Ikkala, H Iatrou, N Houbenov
Biomacromolecules
(2014)
15
Ultrafast nonlinear response of gold gyroid three-dimensional metamaterials
P Farah, A Demetriadou, S Salvatore, S Vignolini, M Stefik, U Wiesner, O Hess, U Steiner, VK Valev, JJ Baumberg
Physical Review Applied
(2014)
2
Synthesis and Reactivity of Phosphinocarbyne Complexes
AL Colebatch, AF Hill, M Sharma
Organometallics
(2014)
34
The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations.
JR Espinosa, C Vega, E Sanz
The Journal of Chemical Physics
(2014)
141
Rapid interrogation of the physical and chemical characteristics of salbutamol sulphate aerosol from a pressurised metered-dose inhaler (pMDI)
H-J Tong, C Fitzgerald, PJ Gallimore, M Kalberer, MK Kuimova, PC Seville, AD Ward, FD Pope
Chemical Communications
(2014)
50
Factors Influencing the Conductivity of Aqueous Sol(ution)-Gel-Processed Al-Doped ZnO Films
H Damm, P Adriaensens, C De Dobbelaere, B Capon, K Elen, J Drijkoningen, B Conings, JV Manca, J D’Haen, C Detavernier, PCMM Magusin, J Hadermann, A Hardy, MK Van Bael
Chemistry of Materials
(2014)
26
Gram-scale enantioselective formal synthesis of morphine through an ortho-para oxidative phenolic coupling strategy.
M Tissot, RJ Phipps, C Lucas, RM Leon, RDM Pace, T Ngouansavanh, MJ Gaunt
Angewandte Chemie (International ed. in English)
(2014)
53
NMR and X-ray structural characterization and conformational aspects of fluorinated (5Z)-3-benzil-5-arylidenofuran-2(5H)-ones
RR Teixeira, LCA Barbosa, MA Kabeshov, CRA Maltha, RS Corrêa, AC Doriguetto
Journal of Molecular Structure
(2014)
1075
Copper-mediated/catalyzed oxyalkylation of alkenes with alkylnitriles
A Bunescu, Q Wang, J Zhu
Chemistry A European Journal
(2014)
20
Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling
GJP van Westen, A Bender, JP Overington
Journal of Chemical Biology
(2014)
7
Role of cosolutes in the aggregation kinetics of monoclonal antibodies
L Nicoud, M Sozo, P Arosio, A Yates, E Norrant, M Morbidelli
The Journal of Physical Chemistry B
(2014)
118