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- Currently displaying 8481 - 8500 of 30318 publications
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation.
J Chem Phys
(2018)
148
102326
(doi: 10.1063/1.5005557)
Reaction rate theory for supramolecular kinetics: application to protein aggregation
(2018)
(doi: 10.48550/arxiv.1803.04851)
Exfoliation of Layered Na-Ion Anode Material Na2Ti3O7 for Enhanced Capacity and Cyclability
Chemistry of Materials
(2018)
30
1505
Post-transcriptional labeling by using Suzuki–Miyaura cross-coupling generates functional RNA probes
Nucleic Acids Research
(2018)
46
e65
(doi: 10.1093/nar/gky185)
Anomalous‐Diffusion‐Assisted Brightness in White Cellulose Nanofibril Membranes
Advanced Materials
(2018)
30
e1704050
(doi: 10.1002/adma.201704050)
A Synthetic Approach for the Rapid Preparation of BODIPY Conjugates and their use in Imaging of Cellular Drug Uptake and Distribution
Chemistry
(2018)
24
4957
(doi: 10.1002/chem.201706093)
A [HN(BH=NH)2]2- Dianion, Isoelectronic with a β-Diketiminate
Organometallics
(2018)
37
628
Supramolecular Nested Microbeads as Building Blocks for Macroscopic Self-Healing Scaffolds
Angewandte Chemie
(2018)
130
3133
(doi: 10.1002/ange.201711522)
Selective Reductive Elimination at Alkyl Palladium(IV) by Dissociative Ligand Ionization: Catalytic C(sp3)−H Amination to Azetidines
Angewandte Chemie - International Edition
(2018)
57
3178
(doi: 10.1002/anie.201800519)
Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proceedings of the National Academy of Sciences of the United States of America
(2018)
115
3350
(doi: 10.1073/pnas.1710741115)
Supramolecular Nested Microbeads as Building Blocks for Macroscopic Self‐Healing Scaffolds
Angewandte Chemie International Edition
(2018)
57
3079
(doi: 10.1002/anie.201711522)
Reproducing Quantum Probability Distributions at the Speed of Classical Dynamics: A New Approach for Developing Force-Field Functors.
J Phys Chem Lett
(2018)
9
1721
(doi: 10.1021/acs.jpclett.7b03254)
Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations (vol 8, 2017)
Nat Commun
(2018)
9
1073
(doi: 10.1038/s41467-018-03452-0)
All 2D materials as electrodes for high power hybrid energy storage applications
2D Materials
(2018)
5
025016
(doi: 10.1088/2053-1583/aaad29)
Diophantine Approach to the Classification of Two-Dimensional Lattices: Surfaces of Face-Centered Cubic Materials
Langmuir
(2018)
34
4095
(doi: 10.1021/acs.langmuir.8b00206)
Realistic atomistic structure of amorphous silicon from machine-learning-driven molecular dynamics
(2018)
(doi: 10.48550/arxiv.1803.02802)
eMolTox: prediction of molecular toxicity with confidence
Bioinformatics
(2018)
34
2508
Corneal Dystrophy Mutations Drive Pathogenesis by Targeting TGFBIp Stability and Solubility in a Latent Amyloid-forming Domain
Journal of molecular biology
(2018)
430
1116
(doi: 10.1016/j.jmb.2018.03.001)
Is ReO3 a mixed ionic–electronic conductor? A DFT study of defect formation and migration in a BVIO3 perovskite-type oxide
Physical chemistry chemical physics : PCCP
(2018)
20
8008
(doi: 10.1039/c7cp08214b)