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  • Currently displaying 10961 - 10980 of 31597 publications
Author(s)
Publication title
Journal Name
Publication year
Editorial: The Future of Chemical Physics Conference 2016
A Michaelides, DE Manolopoulos, C Vega, P Hamm, DW Chandler, EC Brigham, MI Lester
The Journal of Chemical Physics
(2016)
145
Preface: Special Topic on Nucleation: New Concepts and Discoveries
KF Kelton, D Frenkel
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
J Chem Phys
(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 Biol
(2016)
14
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
Biophysical journal
(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
Sci Rep
(2016)
6
QTAIM and Stress Tensor Interpretation of the (H2O)5 Potential Energy Surface
T Xu, J Farrell, Y Xu, R Momen, SR Kirk, S Jenkins, DJ Wales
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2016)
37
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
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
Ice formation on kaolinite: Insights from molecular dynamics simulations.
GC Sosso, GA Tribello, A Zen, P Pedevilla, A Michaelides
The Journal of Chemical Physics
(2016)
145
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
Probing helical transitions in a DNA duplex†
DJ Wales, D Chakraborty
Physical Chemistry Chemical Physics
(2016)
One-Pot Synthesis of Amino Acid-Based Polyelectrolytes and Nanoparticle Synthesis.
S Mommer, H Keul, M Möller
Biomacromolecules
(2016)
18
CHANGES IN SECONDARY METABOLITES PROFILES AND BIOLOGICAL ACTIVITY OF THE FRESH FRUITING BODIES OF Stereum hirsutum EXPOSED TO HIGH-DOSE UV-B RADIATION
S TORRES, J CABRERA-PARDO, F ALONSO, E BUSTOS, C PREZ, G PALFNER, V HERNNDEZ, E URIARTE, J BECERRA
Journal of the Chilean Chemical Society
(2016)
61
A randomized control trial evaluating fluorescent ink $\textit{versus}$ dark ink tattoos for breast radiotherapy
SJ Landeg, AM Kirby, SF Lee, F Bartlett, K Titmarsh, E Donovan, CL Griffin, L Gothard, I Locke, HA McNair
The British Journal of Radiology
(2016)
89
Competing charge transfer pathways at the photosystem II-electrode interface
JZ Zhang, KP Sokol, N Paul, E Romero, R van Grondelle, E Reisner
Nat Chem Biol
(2016)
12