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  • Currently displaying 9381 - 9400 of 29648 publications
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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
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
(2016)
355
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
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
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
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 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
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
The Journal of chemical physics
(2016)
145
Evidence for stable square ice from quantum Monte Carlo
J Chen, A Zen, JG Brandenburg, D Alfè, A Michaelides
Physical Review B
(2016)
94
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 J Nanotechnol
(2016)
7
The Significance of the Location of Mutations for the Native-State Dynamics of Human Lysozyme.
M Ahn, CL Hagan, A Bernardo-Gancedo, E De Genst, FN Newby, J Christodoulou, A Dhulesia, M Dumoulin, CV Robinson, CM Dobson, JR Kumita
Biophys J
(2016)
111
Identification of critical paralog groups with indispensable roles in the regulation of signaling flow
D Modos, J Brooks, D Fazekas, E Ari, T Vellai, P Csermely, T Korcsmaros, K Lenti
Scientific reports
(2016)
6
Controllable Supramolecular Polymerization Promoted by Host-Enhanced Photodimerization.
Y Kang, Z Cai, Z Huang, X Tang, J-F Xu, X Zhang
ACS Macro Letters
(2016)
5
A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: Reliability-density neighbourhood
N Aniceto, AA Freitas, A Bender, T Ghafourian
Journal of Cheminformatics
(2016)
8
Parameterization of Water Electrooxidation Catalyzed by Metal Oxides Using Fourier Transformed Alternating Current Voltammetry.
SA Bonke, AM Bond, L Spiccia, AN Simonov
J Am Chem Soc
(2016)
138
Probing helical transitions in a DNA duplex†
DJ Wales, D Chakraborty
Physical Chemistry Chemical Physics
(2016)
Use of optoelectronic tweezers in manufacturing - accurate solder bead positioning
S Zhang, Y Liu, J Juvert, P Tian, J-C Navarro, JM Cooper, SL Neale
Applied Physics Letters
(2016)
109
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach
M Pagliai, G Mancini, I Carnimeo, N De Mitri, V Barone
Journal of computational chemistry
(2016)
38