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  • Currently displaying 8481 - 8500 of 30318 publications
Author(s)
Publication title
Journal Name
Publication year
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation.
MS Church, TJH Hele, GS Ezra, N Ananth
J Chem Phys
(2018)
148
Reaction rate theory for supramolecular kinetics: application to protein aggregation
TCT Michaels, LX Liu, S Curk, PG Bolhuis, A Saric, TPJ Knowles
(2018)
Exfoliation of Layered Na-Ion Anode Material Na2Ti3O7 for Enhanced Capacity and Cyclability
MA Tsiamtsouri, PK Allan, AJ Pell, JM Stratford, G Kim, RN Kerber, PCMM Magusin, DA Jefferson, CP Grey
Chemistry of Materials
(2018)
30
Post-transcriptional labeling by using Suzuki–Miyaura cross-coupling generates functional RNA probes
MB Walunj, AA Tanpure, SG Srivatsan
Nucleic Acids Research
(2018)
46
Anomalous‐Diffusion‐Assisted Brightness in White Cellulose Nanofibril Membranes
MS Toivonen, OD Onelli, G Jacucci, V Lovikka, OJ Rojas, O Ikkala, S Vignolini
Advanced Materials
(2018)
30
A Synthetic Approach for the Rapid Preparation of BODIPY Conjugates and their use in Imaging of Cellular Drug Uptake and Distribution
S Krajcovicova, J Stankova, P Dzubak, M Hajduch, M Soural, M Urban
Chemistry
(2018)
24
Sticky when wet.
J Chen, A Michaelides
Nature Chemistry
(2018)
10
A [HN(BH=NH)2]2- Dianion, Isoelectronic with a β-Diketiminate
RJ Less, S Hanf, R García-Rodríguez, AD Bond, DS Wright
Organometallics
(2018)
37
Supramolecular Nested Microbeads as Building Blocks for Macroscopic Self-Healing Scaffolds
Z Yu, J Liu, CSY Tan, OA Scherman, C Abell
Angewandte Chemie
(2018)
130
Selective Reductive Elimination at Alkyl Palladium(IV) by Dissociative Ligand Ionization: Catalytic C(sp3)−H Amination to Azetidines
M Nappi, C He, WG Whitehurst, BGN Chappell, MJ Gaunt
Angewandte Chemie - International Edition
(2018)
57
Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
AE Parnell, S Mordhorst, F Kemper, M Giurrandino, JP Prince, NJ Schwarzer, A Hofer, D Wohlwend, HJ Jessen, S Gerhardt, O Einsle, PCF Oyston, JN Andexer, PL Roach
Proceedings of the National Academy of Sciences of the United States of America
(2018)
115
Supramolecular Nested Microbeads as Building Blocks for Macroscopic Self‐Healing Scaffolds
Z Yu, J Liu, C Tan, OA Scherman, C Abell
Angewandte Chemie International Edition
(2018)
57
Reproducing Quantum Probability Distributions at the Speed of Classical Dynamics: A New Approach for Developing Force-Field Functors.
V Sundar, D Gelbwaser-Klimovsky, A Aspuru-Guzik
J Phys Chem Lett
(2018)
9
Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations (vol 8, 2017)
F Paul, C Wehmeyer, ET Abualrous, H Wu, MD Crabtree, J Schöneberg, J Clarke, C Freund, TR Weikl, F Noé
Nat Commun
(2018)
9
All 2D materials as electrodes for high power hybrid energy storage applications
K Kato, FN Sayed, G Babu, PM Ajayan
2D Materials
(2018)
5
Diophantine Approach to the Classification of Two-Dimensional Lattices: Surfaces of Face-Centered Cubic Materials
SJ Jenkins
Langmuir
(2018)
34
Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics
VL Deringer, N Bernstein, AP Bartók, MJ Cliffe, RN Kerber, LE Marbella, CP Grey, SR Elliott, G Csányi
(2018)
eMolTox: prediction of molecular toxicity with confidence
C Ji, F Svensson, A Zoufir, A Bender
Bioinformatics
(2018)
34
Corneal Dystrophy Mutations Drive Pathogenesis by Targeting TGFBIp Stability and Solubility in a Latent Amyloid-forming Domain
M Stenvang, NP Schafer, KG Malmos, A-MW Pérez, O Niembro, P Sormanni, RV Basaiawmoit, G Christiansen, M Andreasen, DE Otzen
Journal of molecular biology
(2018)
430
Is ReO3 a mixed ionic–electronic conductor? A DFT study of defect formation and migration in a BVIO3 perovskite-type oxide
JP Parras, AR Genreith-Schriever, H Zhang, MT Elm, T Norby, RA De Souza
Physical chemistry chemical physics : PCCP
(2018)
20