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Currently displaying 12081 - 12100 of 29869 publications

Correlated defect nanoregions in a metal-organic framework

MJ Cliffe, W Wan, X Zou, PA Chater, AK Kleppe, MG Tucker, H Wilhelm, NP Funnell, F-X Coudert, AL Goodwin

Nature Communications

(2014)

4176

(doi: 10.1038/ncomms5176)

Cation- and anion-exchanges induce multiple distinct rearrangements within metallosupramolecular architectures.

IA Riddell, TK Ronson, JK Clegg, CS Wood, RA Bilbeisi, JR Nitschke

Journal of the American Chemical Society

(2014)

136

9491

(doi: 10.1021/ja504748g)

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)

In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naive Bayes and Parzen-Rosenblatt Window (vol 53, pg 1957, 2013)

A Koutsoukas, R Lowe, Y KalantarMotamedi, HY Mussa, W Klaffke, JB Mitchell, RC Glen, A Bender

Journal of Chemical Information and Modeling

(2014)

2180

(doi: 10.1021/ci500255v)

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)

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

YS Tan, DR Spring, C Abell, C Verma

Journal of chemical information and modeling

(2014)

1821

(doi: 10.1021/ci500215x)

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)

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)

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)

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)

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

J Biol Chem

(2014)

289

21856

(doi: 10.1074/jbc.m114.553297)