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Currently displaying 11741 - 11760 of 29657 publications

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

J Phys Chem Lett

(2014)

3614

(doi: 10.1021/jz5018703)

Optimizing the Selectivity of Surface-Adsorbing Multivalent Polymers

NB Tito, D Frenkel

Macromolecules

(2014)

7496

(doi: 10.1021/ma5014918)

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

18C525

(doi: 10.1063/1.4896513.)

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

J Chem Phys

(2014)

141

18C525

(doi: 10.1063/1.4896513)

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

143111

(doi: 10.1063/1.4897950)

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

Advanced materials (Deerfield Beach, Fla.)

(2014)

7493

(doi: 10.1002/adma.201402696)

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)

3923

(doi: 10.1021/bm5009734)

Single‐Molecule Imaging Reveals that Small Amyloid‐β_1–42 Oligomers Interact with the Cellular Prion Protein (PrP^C)

KA Ganzinger, P Narayan, SS Qamar, L Weimann, RT Ranasinghe, A Aguzzi, CM Dobson, J McColl, P St George-Hyslop, D Klenerman

Chembiochem : a European journal of chemical biology

(2014)

2515

(doi: 10.1002/cbic.201402377)

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)

124

(doi: 10.1002/asia.201402990)

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)

044002

(doi: 10.1103/physrevapplied.2.044002)

The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations

JR Espinosa, C Vega, E Sanz

Journal of Chemical Physics

(2014)

141

134709

(doi: 10.1063/1.4896621)

Synthesis and Reactivity of Phosphinocarbyne Complexes

AL Colebatch, AF Hill, M Sharma

Organometallics

(2014)

2165

(doi: 10.1021/om500833n)

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)

5839

(doi: 10.1021/cm501820a)

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 (Cambridge, England)

(2014)

15499

(doi: 10.1039/c4cc05803h)