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  • Currently displaying 9401 - 9420 of 29680 publications
Author(s)
Publication title
Journal Name
Publication year
Field-enhanced ion transport in solids: Reexamination with molecular dynamics simulations
AR Genreith-Schriever, RA De Souza
Physical Review B
(2016)
94
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: Atmospheres
(2016)
121
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
Growth of free-standing bulk wurtzite AlxGa1-xN layers by molecular beam epitaxy using a highly efficient RF plasma source
SV Novikov, CR Staddon, S-L Sahonta, RA Oliver, CJ Humphreys, CT Foxon
Journal of Crystal Growth
(2016)
456
Finite field methods for the supercell modeling of charged insulator/electrolyte interfaces
C Zhang, M Sprik
Physical Review B
(2016)
94
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)
81
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
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
GPU-Accelerated Exploration of Biomolecular Energy Landscapes
RG Mantell, CE Pitt, DJ Wales
Journal of Chemical Theory and Computation
(2016)
12
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
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
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
Nature Chemistry
(2016)
9
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
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
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
Proximity-Induced H-Aggregation of Cyanine Dyes on DNA-Duplexes
F Nicoli, MK Roos, EA Hemmig, M Di Antonio, R de Vivie-Riedle, T Liedl
Journal of Physical Chemistry A
(2016)
120
Application to large systems: general discussion
S Althorpe, G Angulo, RD Astumian, V Beniwal, PG Bolhuis, J Brandão, J Ellis, W Fang, DR Glowacki, S Hammes-Schiffer, TJH Hele, H Jónsson, T Lelièvre, N Makri, D Manolopoulos, AM Mebel, G Menzl, TF Miller, M Parrinello, PM Piaggi, E Pollak, P Roy Chowdhury, E Sanz, D Shalashilin, E Skúlason, R Spezia, S Taraphder
Faraday Discussions
(2016)
195
Multi-dimensional super-resolution imaging enables surface hydrophobicity mapping.
MN Bongiovanni, J Godet, MH Horrocks, L Tosatto, AR Carr, DC Wirthensohn, RT Ranasinghe, JV Fritz, CM Dobson, D Klenerman, SF Lee
Nature Communications
(2016)
7
Editorial: The Future of Chemical Physics Conference 2016.
A Michaelides, DE Manolopoulos, C Vega, P Hamm, DW Chandler, EC Brigham, MI Lester
Journal of Chemical Physics
(2016)
145
The Nature of the Mechanical Bond. From Molecules to Machines Von Carson J. Bruns und J. Fraser Stoddart.
JR Nitschke
Angewandte Chemie
(2016)
129