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  • Currently displaying 13641 - 13660 of 31557 publications
Author(s)
Publication title
Journal Name
Publication year
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
How to remove the spurious resonances from ring polymer molecular dynamics.
M Rossi, M Ceriotti, DE Manolopoulos
J Chem Phys
(2014)
140
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
Nat Commun
(2014)
5
Density-matrix quantum Monte Carlo method
NS Blunt, TW Rogers, JS Spencer, WMC Foulkes
Physical Review B
(2014)
89
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)
54
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)
54
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 Edition
(2014)
53
Heterogeneous reaction of N2O5 with airborne TiO 2 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)
14
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
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
J Am Chem Soc
(2014)
136
Statistical mechanics of the denatured state of a protein using replica-averaged metadynamics.
C Camilloni, M Vendruscolo
J Am Chem Soc
(2014)
136
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
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
The H50Q mutation enhances αα-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
Journal of Biological Chemistry
(2014)
289
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)
57
Small-molecule modulation of Ras signaling.
J Spiegel, PM Cromm, G Zimmermann, TN Grossmann, H Waldmann
Nat Chem Biol
(2014)
10
The effect of atomic ions on model σ-hole bonded complexes of AH3Y (A = C, Si, Ge; Y = F, Cl, Br)
SAC McDowell, JA Joseph
Physical Chemistry Chemical Physics
(2014)
16
Multipolar electrostatics.
S Cardamone, TJ Hughes, PLA Popelier
Physical chemistry chemical physics : PCCP
(2014)
16
Evaluation of MnOx, Mn2O3, and Mn3O4 Electrodeposited Films for the Oxygen Evolution Reaction of Water
A Ramírez, P Hillebrand, D Stellmach, MM May, P Bogdanoff, S Fiechter
The Journal of Physical Chemistry C
(2014)
118
Compilation and evaluation of gas-phase diffusion coefficients of inorganic reactive trace gases in the atmosphere
MJ Tang, RA Cox, M Kalberer
Atmospheric Chemistry and Physics Discussions
(2014)
14