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  • Currently displaying 10621 - 10640 of 31130 publications
Author(s)
Publication title
Journal Name
Publication year
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
J Chem Theory Comput
(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
J Chem Theory Comput
(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
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
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
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
J Phys Chem A
(2016)
120
Active sites in heterogeneous ice nucleation—the example of K-rich feldspars
A Kiselev, F Bachmann, P Pedevilla, SJ Cox, A Michaelides, D Gerthsen, T Leisner
Science (New York, N.Y.)
(2016)
355
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
The Nature of the Mechanical Bond. From Molecules to Machines Von Carson J. Bruns und J. Fraser Stoddart.
JR Nitschke
Angewandte Chemie
(2016)
129
The Nature of the Mechanical Bond. From Molecules to Machines By Carson J. Bruns and J. Fraser Stoddart.
JR Nitschke
Angewandte Chemie International Edition
(2016)
56
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
Rapid Self-Assembly of Block Copolymers for Flower-Like Particles with High Throughput
Z Wang, Y Cao, X Zhang, D Wang, M Liu, Z Xie, Y Wang
Langmuir : the ACS journal of surfaces and colloids
(2016)
32
Preface: Special Topic on Nucleation: New Concepts and Discoveries
KF Kelton, D Frenkel
The Journal of chemical physics
(2016)
145
Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation.
A Šarić, TCT Michaels, A Zaccone, TPJ Knowles, D Frenkel
Journal of Chemical Physics
(2016)
145
The topology, structure and PE interaction of LITAF underpin a Charcot-Marie-Tooth disease type 1C
AK Ho, JL Wagstaff, PT Manna, L Wartosch, S Qamar, EF Garman, SMV Freund, RC Roberts
BMC Biology
(2016)
14
Controlled supramolecular structure of guanosine monophosphate in the interlayer space of layered double hydroxide
G-H Gwak, I Kocsis, Y-M Legrand, M Barboiu, J-M Oh
Beilstein Journal of Nanotechnology
(2016)
7
Evidence for stable square ice from quantum Monte Carlo
J Chen, A Zen, JG Brandenburg, D Alfè, A Michaelides
Physical Review B
(2016)
94