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PtO MLFF-MD Thermodynamic Integrations
This dataset has no description
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PtOH MLFF-MD Thermodynamic Integrations
This dataset has no description
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PtOOH MLFF-MD Thermodynamic Integrations
This dataset has no description
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MLFF-TI Oxygenates on Pt
This dataset has no description
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Molecular Dynamics Simulations of Ubiquitin K11 Mutants
This dataset contains trajectory data of the protein ubiquitin with different amino acid mutations at position 11. The variants present in this dataset are wt, K11R, K11Q, K11C,... -
Molecular Dynamics Simulations of Linear Ubiquitin Dimers
This dataset contains trajectory data of linear linked ubiquitin dimers (diUb). Each simulation (12x) is 50 ns long and was started from an open (ubiquitin moieties are... -
Photoelectrochemical Synthesis of Benzo[b]phosphole Oxides via Sequential P–H...
This dataset has no description
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Photoelectrochemical Synthesis of Benzo[b]phosphole Oxides via Sequential P–H...
This dataset has no description
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Synthesis of molecular organo-f-element-polyphosphides with non-classical div...
This dataset has no description
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Introducing Photochemical Action Plots as a Tool for Unlocking On-Off Switcha...
This dataset has no description
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Replication data for: "Shedding Light on the Active Species in a Cobalt-Based...
All primary and processed data of the journal article can be found here. The data is structured according to analytical techniques. The material measured is described in a file... -
Replication Data for: Development of a Basalt Fiber-Reinforced Composite Duct...
This dataset represents an addendum and contains relevant data on the development and testing of a mineral-based composite duct for the placement of unbonded tendons in... -
Replication data for: Cyclopalladation of a Covalent Organic Framework for Ne...
All primary and processed data of the journal article can be found here. The data is structured according to analytical techniques. The material measured is described in a file... -
Method validation of SPE/LC-HRMS using sol-gel zwitterionic sorbent
Evaluation of a new sorbent based on silica particles with zwitterionic properties and validation of the analytical method based on solid-phase extraction followed by liquid... -
Ceramic passive samplers evaluation
Calibration parameters of the three materials tested in the ceramic passive samplers. The data include parameters for Sampling rate, diffussion and partition constant for the... -
Pine nut mono- and sesquiterpenoid fingerprints (Extracted Ion Chromatograms)...
A set of 253 pine nut samples from different geographical regions was obtained from 2020 to 2023 in the frame of the Tracenuts project (PID2020-117701RB-I00). Pine nut samples... -
Aromatic Cope Rearrangement by Gold(I) Catalysis: NMR data of pure compounds
The Aromatic Cope Rearrangement is a highly challenging chemical reaction under thermal conditions, primarily attributed to the loss of aromaticity during the initial [3,3]... -
Données de réplication pour : Garbage in, garbage out: An industrial perspect...
Abstract Lead optimization failures are often linked to poor absorption, compounded by strong efflux transport and low recovery. Here we report a comprehensive analysis and... -
In-depth characterization of 4 carbon nanomaterials (MWCNT, DWCNT, FLG, GNP) ...
Double-walled carbon nanotubes (DWCNTs), multi-walled carbon nanotubes (MWCNTs), few-layer graphene (FLG) and graphene nanoplatelets (GNPs) were chemically modified by refluxing... -
antismash_results
This zip archive contains the antiSMASH v7.1 predictions of 63 bacterial and 13 fungal genomes from strains isolated from cheese.
