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- Currently displaying 8161 - 8180 of 30196 publications
Code supporting "Tunneling-splittings from path-integral molecular dynamics using a Langevin thermostat"
(2018)
(doi: 10.17863/CAM.20999)
International chemical identifier for reactions (RInChI)
Journal of Cheminformatics
(2018)
10
22
(doi: 10.1186/s13321-018-0277-8)
Mimicking the surface and prebiotic chemistry of early Earth using flow chemistry.
Nat Commun
(2018)
9
1821
(doi: 10.1038/s41467-018-04147-2)
Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation
Journal of chemical theory and computation
(2018)
14
3218
(doi: 10.1021/acs.jctc.8b00027)
Identifying the Structural Basis for the Increased Stability of the Solid Electrolyte Interphase Formed on Silicon with the Additive Fluoroethylene Carbonate
(2018)
(doi: 10.48550/arxiv.1805.03226)
Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods.
Journal of Chemical Information and Modeling
(2018)
58
1169
(doi: 10.1021/acs.jcim.7b00656)
Cholesterol catalyses Aβ42 aggregation through a heterogeneous nucleation pathway in the presence of lipid membranes
Nature Chemistry
(2018)
10
673
(doi: 10.1038/s41557-018-0031-x)
Bioinspiration Across All Length Scales of Materials.
Advanced Materials
(2018)
30
e1801687
(doi: 10.1002/adma.201801687)
Ion Pair-Directed C–H Activation on Flexible Ammonium Salts: meta-Selective Borylation of Quaternized Phenethylamines and Phenylpropylamines
ACS Catalysis
(2018)
8
3764
(doi: 10.1021/acscatal.8b00423)
Editorial: Harmonische Zusammenarbeit von Mensch und Maschine in der chemischen Synthese
Angewandte Chemie
(2018)
130
5278
(doi: 10.1002/ange.201802383)
The Engineering of Chemical Synthesis: Humans and Machines Working in Harmony
Angewandte Chemie - International Edition
(2018)
57
5182
(doi: 10.1002/anie.201802383)
Laser Speckle Strain Imaging reveals the origin of delayed fracture in a soft solid
Sci Adv
(2018)
4
eaar1926
(doi: 10.1126/sciadv.aar1926)
Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields
Journal of chemical theory and computation
(2018)
14
3100
(doi: 10.1021/acs.jctc.7b01272)
Differential inhibition of metabolite amyloid formation by generic fibrillation-modifying polyphenols
Communications Chemistry
(2018)
1
25
(doi: 10.1038/s42004-018-0025-z)
Droplet-based microfluidic analysis and screening of single plant cells.
PloS one
(2018)
13
e0196810
(doi: 10.1371/journal.pone.0196810)
N-Alkylation of functionalized amines with alcohols using a copper–gold mixed photocatalytic system
Scientific Reports
(2018)
8
6931
(doi: 10.1038/s41598-018-25293-z)
The physiological and pathological biophysics of phase separation and gelation of RNA binding proteins in amyotrophic lateral sclerosis and fronto-temporal lobar degeneration.
Brain Research
(2018)
1693
11
Small-angle x-ray scattering in amorphous silicon: A computational study
Physical Review B
(2018)
97
184202
(doi: 10.1103/PhysRevB.97.184202)
Efficient characterisation of large deviations using population dynamics
Journal of Statistical Mechanics: Theory and Experiment
(2018)
2018
053204
(doi: 10.1088/1742-5468/aab3ef)
