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Currently displaying 12341 - 12360 of 30152 publications

The Use of Chlorobenzene as a Probe Molecule in Molecular Dynamics Simulations

YS Tan, DR Spring, C Abell, C Verma

J. Chem. Inf. Model.

(2014)

1821

(doi: 10.1021/ci500215x)

Heterogeneous reaction of N₂O₅ with airborne TiO₂ particles and its implication for stratospheric particle injection

MJ Tang, PJ Telford, FD Pope, L Rkiouak, NL Abraham, AT Archibald, P Braesicke, JA Pyle, J McGregor, IM Watson, RA Cox, M Kalberer

Atmospheric Chemistry and Physics

(2014)

6035

(doi: 10.5194/acp-14-6035-2014)

Density-matrix quantum Monte Carlo method

NS Blunt, TW Rogers, JS Spencer, WMC Foulkes

Physical Review B

(2014)

245124

(doi: 10.1103/PhysRevB.89.245124)

Metal-free annulation of arenes with 2-aminopyridine derivatives: The methyl group as a traceless non-chelating directing group

S Manna, K Matcha, AP Antonchick

Angewandte Chemie (International ed. in English)

(2014)

8163

(doi: 10.1002/anie.201403712)

Apportionment of urban aerosol sources in Cork (Ireland) by synergistic measurement techniques.

M Dall'Osto, S Hellebust, RM Healy, IP O'Connor, I Kourtchev, JR Sodeau, J Ovadnevaite, D Ceburnis, CD O'Dowd, JC Wenger

Science of the Total Environment

(2014)

493

197

(doi: 10.1016/j.scitotenv.2014.05.027)

Metallfreie Anellierung von Arenen mit 2‐Aminopyridin‐Derivaten: die Methylgruppe als spurlose nichtchelatisierende dirigierende Gruppe

S Manna, K Matcha, AP Antonchick

Angewandte Chemie

(2014)

126

8302

(doi: 10.1002/ange.201403712)

Efficient host-guest energy transfer in polycationic cyclophane-perylene diimide complexes in water

STJ Ryan, J Del Barrio, I Ghosh, F Biedermann, AI Lazar, Y Lan, RJ Coulston, WM Nau, OA Scherman

Journal of the American Chemical Society

(2014)

136

9053

(doi: 10.1021/ja5032437)

Statistical mechanics of the denatured state of a protein using replica-averaged metadynamics

C Camilloni, M Vendruscolo

J Am Chem Soc

(2014)

136

8982

(doi: 10.1021/ja5027584)

Differences in nucleation behavior underlie the contrasting aggregation kinetics of the Aβ40 and Aβ42 peptides.

G Meisl, X Yang, E Hellstrand, B Frohm, JB Kirkegaard, SIA Cohen, CM Dobson, S Linse, TPJ Knowles

Proc Natl Acad Sci U S A

(2014)

111

9384

(doi: 10.1073/pnas.1401564111)

The H50Q Mutation Enhances α-Synuclein Aggregation, Secretion, and Toxicity

O Khalaf, B Fauvet, A Oueslati, I Dikiy, A-L Mahul-Mellier, FS Ruggeri, MK Mbefo, F Vercruysse, G Dietler, S-J Lee, D Eliezer, HA Lashuel

The Journal of biological chemistry

(2014)

289

21856

(doi: 10.1074/jbc.m114.553297)

13C-labelled microdialysis studies of cerebral metabolism in TBI patients

KLH Carpenter, I Jalloh, CN Gallagher, P Grice, DJ Howe, A Mason, I Timofeev, A Helmy, MP Murphy, DK Menon, PJ Kirkpatrick, TA Carpenter, GR Sutherland, JD Pickard, PJ Hutchinson

European Journal of Pharmaceutical Sciences

(2014)

(doi: 10.1016/j.ejps.2013.12.012)

Small-molecule modulation of Ras signaling

J Spiegel, PM Cromm, G Zimmermann, TN Grossmann, H Waldmann

Nat Chem Biol

(2014)

613

(doi: 10.1038/nchembio.1560)

The effect of atomic ions on model σ-hole bonded complexes of AH 3 Y (A = C, Si, Ge; Y = F, Cl, Br)

SAC McDowell, JA Joseph

Phys Chem Chem Phys