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Currently displaying 10121 - 10140 of 30563 publications

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

(2016)

13054

(doi: 10.1021/acs.langmuir.6b03601)

GPU-Accelerated Exploration of Biomolecular Energy Landscapes

RG Mantell, CE Pitt, DJ Wales

J Chem Theory Comput

(2016)

6182

(doi: 10.1021/acs.jctc.6b00934)

Structure, Thermodynamics, and Folding Pathways for a Tryptophan Zipper as a Function of Local Rigidification.

JA Joseph, CS Whittleston, DJ Wales

J Chem Theory Comput

(2016)

6109

(doi: 10.1021/acs.jctc.6b00734)

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)

6077

(doi: 10.1021/acs.jctc.6b00667)

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)

396

(doi: 10.1038/nchem.2670)

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)

15397

(doi: 10.5194/acp-16-15397-2016)

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)

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)

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

J Phys Chem A

(2016)

120

9941

(doi: 10.1021/acs.jpca.6b10939)

Editorial: The Future of Chemical Physics Conference 2016

A Michaelides, DE Manolopoulos, C Vega, P Hamm, DW Chandler, EC Brigham, MI Lester

J Chem Phys

(2016)

145

220401

(doi: 10.1063/1.4968588)

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)

13544

(doi: 10.1038/ncomms13544)

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

671

(doi: 10.1039/C6FD90076C)