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  • Currently displaying 8981 - 9000 of 29644 publications
Author(s)
Publication title
Journal Name
Publication year
First-principles simulations of vibrational decay and lifetimes in a -Si:H and a-Si:D
R Atta-Fynn, DA Drabold, SR Elliott, P Biswas
Physical Review B - Condensed Matter and Materials Physics
(2017)
95
Coexistence of low and high overlap phases in a supercooled liquid: An integral equation investigation
J-M Bomont, G Pastore, J-P Hansen
The Journal of Chemical Physics
(2017)
146
Field‐Induced Slow Magnetic Relaxation of GdIII Complex with a Pt−Gd Heterometallic Bond
T Yoshida, G Cosquer, DC Izuogu, H Ohtsu, M Kawano, Y Lan, W Wernsdorfer, H Nojiri, BK Breedlove, M Yamashita
Chemistry – A European Journal
(2017)
23
Unravelling the influence of quantum proton delocalization on electronic charge transfer through the hydrogen bond
C Schran, O Marsalek, TE Markland
(2017)
Correlating Carrier Density and Emergent Plasmonic Features in Cu2-xSe Nanoparticles
LE Marbella, XY Gan, DC Kaseman, JE Millstone
Nano Lett
(2017)
17
Identification of an RNA Polymerase III Regulator Linked to Disease-Associated Protein Aggregation
O Sin, T de Jong, A Mata-Cabana, M Kudron, MA Zaini, FA Aprile, RI Seinstra, E Stroo, RW Prins, CN Martineau, HH Wang, W Hogewerf, A Steinhof, EE Wanker, M Vendruscolo, CF Calkhoven, V Reinke, V Guryev, EAA Nollen
Mol Cell
(2017)
65
What Makes Telomeres Unique?
AK Sieradzan, P Krupa, DJ Wales
The Journal of Physical Chemistry B
(2017)
121
Gas-Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al2 O3 )1-6 AlO2.
X Song, MR Fagiani, S Gewinner, W Schöllkopf, KR Asmis, FA Bischoff, F Berger, J Sauer
Chemphyschem
(2017)
18
3D proteochemometrics: Using three-dimensional information of proteins and ligands to address aspects of the selectivity of serine proteases
V Subramanian, QU Ain, H Henno, L-O Pietilä, JE Fuchs, P Prusis, A Bender, G Wohlfahrt
Medchemcomm
(2017)
8
Downstream Processability of Crystal Habit-Modified Active Pharmaceutical Ingredient
N Pudasaini, PP Upadhyay, CR Parker, SU Hagen, AD Bond, J Rantanen
Organic Process Research and Development
(2017)
21
Finite-Size Scaling of a First-Order Dynamical Phase Transition: Adaptive Population Dynamics and an Effective Model
T Nemoto, RL Jack, V Lecomte
Physical review letters
(2017)
118
Exciton Coupling of Phenylalanine Reveals Conformational Changes of Cationic Peptides
C Bortolini, L Liu, SV Hoffmann, NC Jones, TPJ Knowles, M Dong
Chemistryselect
(2017)
2
Size-Dependent Activity of Palladium Nanoparticles: Efficient Conversion of CO2 into Formate at Low Overpotentials.
M Rahaman, A Dutta, P Broekmann
ChemSusChem
(2017)
10
Transforming the Energy Landscape of a Coiled-Coil Peptide via Point Mutations.
K Röder, DJ Wales
Journal of Chemical Theory and Computation
(2017)
13
Solar-driven reforming of lignocellulose to H$_{2}$ with a CdS/CdO$_{x}$ photocatalyst
DW Wakerley, MF Kuehnel, KL Orchard, KH Ly, TE Rosser, E Reisner
Nature Energy
(2017)
2
Reversible Redox Cycling of Well-Defined, Ultrasmall Cu/Cu2O Nanoparticles.
SD Pike, ER White, A Regoutz, N Sammy, DJ Payne, CK Williams, MSP Shaffer
ACS nano
(2017)
11
3D structures of individual mammalian genomes studied by single-cell Hi-C
TJ Stevens, D Lando, S Basu, LP Atkinson, Y Cao, SF Lee, M Leeb, KJ Wohlfahrt, W Boucher, A O’Shaughnessy-Kirwan, J Cramard, AJ Faure, M Ralser, E Blanco, L Morey, M Sanso, MGS Palayret, B Lehner, L Di Croce, A Wutz, B Hendrich, D Klenerman, ED Laue
Nature
(2017)
544
Physical principles of filamentous protein self-assembly kinetics.
TCT Michaels, LX Liu, G Meisl, TPJ Knowles
Journal of Physics Condensed Matter
(2017)
29
Double-layer ice from first principles
J Chen, G Schusteritsch, CJ Pickard, CG Salzmann, A Michaelides
(2017)
Hierarchical Self-Assembly of HalogenBonded Block Copolymer Complexes into Upright Cylindrical Domains
R Milani, N Houbenov, F Fernandez-Palacio, G Cavallo, A Luzio, J Haataja, G Giancane, M Saccone, A Priimagi, P Metrangolo, O Ikkala
Chem
(2017)
2