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Yusuf Hamied Department of Chemistry

 

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  • Currently displaying 8441 - 8460 of 29197 publications
A History of the Molecular Initiating Event
TEH Allen, JM Goodman, S Gutsell, PJ Russell
– Chem Res Toxicol
(2016)
29,
2060
(doi: 10.1021/acs.chemrestox.6b00341)
Molecular Dynamics Study of a Dual‐Cation Ionomer Electrolyte
X Chen, F Chen, E Jónsson, M Forsyth
– Chemphyschem : a European journal of chemical physics and physical chemistry
(2016)
18,
230
(doi: 10.1002/cphc.201600821)
Fe-Catalyzed Amination of (Hetero)Arenes with a Redox-Active Aminating Reagent under Mild Conditions.
J Liu, K Wu, T Shen, Y Liang, M Zou, Y Zhu, X Li, X Li, N Jiao
– Chemistry (Weinheim an der Bergstrasse, Germany)
(2016)
23,
563
(doi: 10.1002/chem.201605476)
Constraints on oceanic methane emissions west of svalbard from atmospheric in situ measurements and lagrangian transport modeling
I Pisso, CL Myhre, SM Platt, S Eckhardt, O Hermansen, N Schmidbauer, J Mienert, S Vadakkepuliyambatta, S Bauguitte, J Pitt, G Allen, KN Bower, S O'Shea, MW Gallagher, CJ Percival, J Pyle, M Cain, A Stohl
– Journal of Geophysical Research
(2016)
121,
14
(doi: 10.1002/2016jd025590)
Measurements of δ$^{13}$C in CH$_{4}$ and using particle dispersion modeling to characterize sources of Arctic methane within an air mass
JL France, M Cain, RE Fisher, D Lowry, G Allen, SJ O'Shea, S Illingworth, J Pyle, N Warwick, BT Jones, MW Gallagher, K Bower, M Le Breton, C Percival, J Muller, A Welpott, S Bauguitte, C George, GD Hayman, AJ Manning, CL Myhre, M Lanoisellé, EG Nisbet
– Journal of Geophysical Research
(2016)
121,
14257
(doi: 10.1002/2016JD026006)
High order path integrals made easy.
V Kapil, J Behler, M Ceriotti
– Journal of Chemical Physics
(2016)
145,
234103
(doi: 10.1063/1.4971438)
Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations
AR Genreith-Schriever, RA De Souza
– Physical Review B
(2016)
94,
224304
(doi: 10.1103/physrevb.94.224304)
Finite field methods for the supercell modeling of charged insulator/electrolyte interfaces
C Zhang, M Sprik
– Physical Review B
(2016)
94,
245309
(doi: 10.1103/PhysRevB.94.245309)
Molecular dynamics simulation of tau peptides for the investigation of conformational changes induced by specific phosphorylation patterns
NS Gandhi, P Kukic, G Lippens, RL Mancera
– Methods in molecular biology (Clifton, N.J.)
(2016)
1523,
33
(doi: 10.1007/978-1-4939-6598-4_3)
Growth of free-standing bulk wurtzite AlxGa1−xN layers by molecular beam epitaxy using a highly efficient RF plasma source
SV Novikov, CR Staddon, SL Sahonta, RA Oliver, CJ Humphreys, CT Foxon
– Journal of Crystal Growth
(2016)
456,
151
(doi: 10.1016/j.jcrysgro.2016.07.038)
Anti-mesothelioma mechanism of action studies of a complex Cynara scolymus fraction using in silico target prediction and gene expression profiling
N Sharma, C Pulito, G Klambauer, L Mattoli, S Strano, G Blandino, J Lucci, A Bender
– Planta Med
(2016)
82,
S1
(doi: 10.1055/s-0036-1596242)
Divergent Synthesis of Quinolone Natural Products from $\textit{Pseudonocardia}$ sp. CL38489
SM Geddis, L Carro Santos, JT Hodgkinson, DR Spring
– European journal of organic chemistry
(2016)
2016,
5799
(doi: 10.1002/ejoc.201601195)
Coarse-Grained Simulations Complemented by Atomistic Molecular Dynamics Provide New Insights into Folding and Unfolding of Human Telomeric G-Quadruplexes
P Stadlbauer, L Mazzanti, T Cragnolini, DJ Wales, P Derreumaux, S Pasquali, J Šponer
– Journal of Chemical Theory and Computation
(2016)
12,
6077
(doi: 10.1021/acs.jctc.6b00667)
Structure, Thermodynamics, and Folding Pathways for a Tryptophan Zipper as a Function of Local Rigidification.
JA Joseph, CS Whittleston, DJ Wales
– Journal of Chemical Theory and Computation
(2016)
12,
6109
(doi: 10.1021/acs.jctc.6b00734)
Multilayering of Calcium Aerosol-OT at the Mica/Water Interface Studied with Neutron Reflection: Formation of a Condensed Lamellar Phase at the CMC
LR Griffin, KL Browning, SY Lee, MWA Skoda, S Rogers, SM Clarke
– Langmuir : the ACS journal of surfaces and colloids
(2016)
32,
13054
(doi: 10.1021/acs.langmuir.6b03601)
GPU-Accelerated Exploration of Biomolecular Energy Landscapes.
RG Mantell, CE Pitt, DJ Wales
– Journal of Chemical Theory and Computation
(2016)
12,
6182
(doi: 10.1021/acs.jctc.6b00934)
An iron-catalysed C-C bond-forming spirocyclization cascade providing sustainable access to new 3D heterocyclic frameworks.
K Adams, AK Ball, J Birkett, L Brown, B Chappell, DM Gill, PKT Lo, NJ Patmore, CR Rice, J Ryan, P Raubo, JB Sweeney
– Nat Chem
(2016)
9,
396
(doi: 10.1038/nchem.2670)
Effects of Nanoscale Heterogeneities on the Reactivity of Shocked Erythritol Tetranitrate
D Furman, R Kosloff, Y Zeiri
– The Journal of Physical Chemistry C
(2016)
120,
28886
(doi: 10.1021/acs.jpcc.6b11543)
Heterogeneous reaction of ClONO$_{2}$ with TiO$_{2}$ and SiO$_{2}$ aerosol particles: implications for stratospheric particle injection for climate engineering
M Tang, J Keeble, P Telford, FD Pope, P Braesicke, PT Griffiths, NL Abraham1, J McGregor, IM Watson, RA Cox, JA Pyle, M Kalberer
– Atmospheric Chemistry and Physics
(2016)
16,
15397
(doi: 10.5194/acp-16-15397-2016)
Constraints on oceanic methane emissions west of Svalbard from atmospheric in situ measurements and Lagrangian transport modeling.
I Pisso, CL Myhre, SM Platt, S Eckhardt, O Hermansen, N Schmidbauer, J Mienert, S Vadakkepuliyambatta, S Bauguitte, J Pitt, G Allen, KN Bower, S O'Shea, MW Gallagher, CJ Percival, J Pyle, M Cain, A Stohl
– J Geophys Res Atmos
(2016)
121,
14188
(doi: 10.1002/2016JD025590)

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