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  • Currently displaying 10601 - 10620 of 29621 publications
Author(s)
Publication title
Journal Name
Publication year
$\textit{Ab initio}$ study of phosphorus anodes for lithium and sodium-ion batteries
M Mayo, KJ Griffith, CJ Pickard, AJ Morris
(2015)
Stability of Complex Biomolecular Structures: van der Waals, Hydrogen Bond Cooperativity, and Nuclear Quantum Effects
M Rossi, W Fang, A Michaelides
The Journal of Physical Chemistry Letters
(2015)
6
Probing Dynamic Processes in Lithium-Ion Batteries by In Situ NMR Spectroscopy: Application to Li1.08Mn1.92O4 Electrodes
L Zhou, M Leskes, T Liu, CP Grey
Angewandte Chemie - International Edition
(2015)
54
Determination of Thermal Expansion Coefficients and Locating the Temperature-Induced Phase Transition in Methylammonium Lead Perovskites Using X-ray Diffraction.
TJ Jacobsson, LJ Schwan, M Ottosson, A Hagfeldt, T Edvinsson
Inorganic Chemistry
(2015)
54
Electrodeposited MnO(x)/PEDOT Composite Thin Films for the Oxygen Reduction Reaction.
JA Vigil, TN Lambert, K Eldred
ACS Applied Materials & Interfaces
(2015)
7
Reductive Hydrogenation of the Aqueous Rutile TiO2(110) Surface
J Cheng, X Liu, J VandeVondele, M Sprik
Electrochimica Acta
(2015)
179
Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics.
J Pfaendtner, M Bonomi
Journal of Chemical Theory and Computation
(2015)
11
Latent analysis of unmodified biomolecules and their complexes in solution with attomole detection sensitivity.
EV Yates, T Müller, L Rajah, EJ De Genst, P Arosio, S Linse, M Vendruscolo, CM Dobson, TPJ Knowles
Nature Chemistry
(2015)
7
Direct UV-written planar Bragg grating sensors
C Holmes, JC Gates, LG Carpenter, HL Rogers, RM Parker, PA Cooper, FRM Adikan, CBE Gawith, PGR Smith, S Chaotan
Measurement Science and Technology
(2015)
26
Review-Manganese-Based P2-Type Transition Metal Oxides as Sodium-Ion Battery Cathode Materials
RJ Clément, PG Bruce, CP Grey
Journal of The Electrochemical Society
(2015)
162
Nanoscale structure of microvoids in a-Si:H: a first-principles study.
P Biswas, SR Elliott
J Phys Condens Matter
(2015)
27
Jean-Pierre Hansen – a stimulating history of simulating fluids
B Rotenberg, G Jackson, D Frenkel
Molecular Physics
(2015)
113
Plasticity of an ultrafast interaction between nucleoporins and nuclear transport receptors.
S Milles, D Mercadante, IV Aramburu, MR Jensen, N Banterle, C Koehler, S Tyagi, J Clarke, SL Shammas, M Blackledge, F Gräter, EA Lemke
Cell
(2015)
163
Ligand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual Screening.
C Colas, C Grewer, NJ Otte, A Gameiro, T Albers, K Singh, H Shere, M Bonomi, J Holst, A Schlessinger
PLOS Computational Biology
(2015)
11
Formation of oligopeptides in high yield under simple programmable conditions.
M Rodriguez-Garcia, AJ Surman, GJT Cooper, I Suárez-Marina, Z Hosni, MP Lee, L Cronin
Nat Commun
(2015)
6
An excited-state approach within full configuration interaction quantum Monte Carlo.
NS Blunt, SD Smart, GH Booth, A Alavi
J Chem Phys
(2015)
143
Competition between ices Ih and Ic in homogeneous water freezing.
A Zaragoza, MM Conde, JR Espinosa, C Valeriani, C Vega, E Sanz
The Journal of Chemical Physics
(2015)
143
Luminescent (NCC) Gold(III) Complexes: Stabilized Gold(III) Fluorides
R Kumar, A Linden, C Nevado
Angewandte Chemie International Edition
(2015)
54
An Autocatalytic System of Photooxidation‐Driven Substitution Reactions on a FeII4L6 Cage Framework
PP Neelakandan, A Jiménez, JD Thoburn, JR Nitschke
Angewandte Chemie
(2015)
127
An Autocatalytic System of Photooxidation-Driven Substitution Reactions on a Fe(II)4L6 Cage Framework.
PP Neelakandan, A Jiménez, JD Thoburn, JR Nitschke
Angew Chem Int Ed Engl
(2015)
54