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  • Currently displaying 5361 - 5380 of 29639 publications
Author(s)
Publication title
Journal Name
Publication year
Predicting Heterogeneous Ice Nucleation With a Data-Driven Approach
M Fitzner, P Pedevilla, A Michaelides
(2020)
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods.
K Guther, RJ Anderson, NS Blunt, NA Bogdanov, D Cleland, N Dattani, W Dobrautz, K Ghanem, P Jeszenszki, N Liebermann, GL Manni, AY Lozovoi, H Luo, D Ma, F Merz, C Overy, M Rampp, PK Samanta, LR Schwarz, JJ Shepherd, SD Smart, E Vitale, O Weser, GH Booth, A Alavi
The Journal of chemical physics
(2020)
153
Electrochemical stability of glyme-based electrolytes for Li-O2 batteries studied by in situ infrared spectroscopy.
G Horwitz, EJ Calvo, LP Méndez De Leo, E de la Llave
Phys Chem Chem Phys
(2020)
22
Multifunctional opioid receptor agonism and antagonism by a novel macrocyclic tetrapeptide prevents reinstatement of morphine-seeking behaviour
AC Brice-Tutt, LL Wilson, SO Eans, HM Stacy, CA Simons, GG Simpson, JS Coleman, MJ Ferracane, JV Aldrich, JP McLaughlin
Br J Pharmacol
(2020)
177
Understanding the Lubrication Mechanism of Polyvinyl Alcohol Hydrogels using Infrared Nanospectroscopy
AP Fellows, D Puhan, MTL Casford, PB Davies
Journal of Physical Chemistry C
(2020)
124
One-/Two-Photon Excited Cell Membrane Imaging and Tracking by a Photoactive Nanocage
Y-P Wang, K Wu, M Pan, K Li, J-T Mo, X-H Duan, H-Z He, J Shen, C-Y Su
ACS applied materials & interfaces
(2020)
12
Granular hydrogels for 3D bioprinting applications
W Cheng, J Zhang, J Liu, Z Yu
View
(2020)
1
An accurate and transferable machine learning potential for carbon
P Rowe, VL Deringer, P Gasparotto, G Csányi, A Michaelides
J Chem Phys
(2020)
153
A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death
DE Scott, NJ Francis-Newton, ME Marsh, AG Coyne, G Fischer, T Moschetti, AR Bayly, TD Sharpe, KT Haas, L Barber, CR Valenzano, R Srinivasan, DJ Huggins, M Ehebauer, A Esposito, L Pellegrini, T Perrior, G McKenzie, TL Blundell, M Hyvönen, J Skidmore, AR Venkitaraman, C Abell
(2020)
Improving double-ended transition state searches for soft-matter systems.
K Röder, DJ Wales
The Journal of chemical physics
(2020)
153
Genome-wide DNA Methylation Signatures Are Determined by DNMT3A/B Sequence Preferences.
S-Q Mao, SM Cuesta, D Tannahill, S Balasubramanian
Biochemistry
(2020)
59
Applying Support-Vector Machine Learning Algorithms towards Predicting Host-Guest Interactions with Cucurbit[7]uril
A Tabet, T Gebhart, G Wu, C Readman, M Pierson Smela, VK Rana, C Baker, H Bulstrode, P Anikeeva, DH Rowitch, OA Scherman
Physical chemistry chemical physics : PCCP
(2020)
22
Real-Time Highly-Sensitive Protein Quantification Through On-Chip Chemiluminescence
HK Chiu, T Kartanas, S R. A. Devenish, K Saar, C Mouritsen Luxhøj, T Knowles
(2020)
Nanoporous Silica Preconcentrator for Vapor-Phase DMNB, a Detection Taggant for Explosives.
C Day, N Rowe, T Hutter
ACS Omega
(2020)
5
Hydrothermal polymerization towards fully biobased polyazomethines.
G Li, K Yu, J Noordijk, MHM Meeusen-Wierts, B Gebben, PAM Oude Lohuis, AHM Schotman, KV Bernaerts
Chemical Communications
(2020)
56
Phonon traces in glassy vibrations
NS Shcheblanov, ME Povarnitsyn, JD Wiles, SR Elliott, SN Taraskin
Physical Review B
(2020)
102
Quantitative Supramolecular Heterodimerization for Efficient Energy Transfer
G Wu, Z Huang, OA Scherman
Angewandte Chemie
(2020)
132
Efficient and exact sampling of transition path ensembles on Markovian networks.
DJ Sharpe, DJ Wales
Journal of Chemical Physics
(2020)
153
Quantitative Supramolecular Heterodimerization for Efficient Energy Transfer
G Wu, Z Huang, OA Scherman
Angew Chem Int Ed Engl
(2020)
59
A well-behaved theoretical framework for ReaxFF reactive force fields
D Furman, DJ Wales
Journal of Chemical Physics
(2020)
153