4,250 datasets found

The data provided corresponds to the molecular dynamics simulations performed for the wild-type (WT) and E220A mutant of HvoExoI glycosyl hydrolase in covalent complex with...

This dataset contains all data generated during the study titled "Fischer-Tropsch Catalysis of Fe13 Nanoclusters on SiO2 Surfaces in Outer Space: A Quantum Mechanical Study." It...

This dataset provides the script used to generate combinatorial sequences of amino acids as well as the resulting list of sequences. Also, it provides the starting points to run...

In the current dataset is presented the characterization of wastewaters from cotton textile industry, as well as the characterization of the carbohydrate oxidases,...

The spectroscopic (UV-Vis and infrared) data allow for the investigation of the mechanism of photoisomerization of the nitrosyl ligand in a ruthenium nitrosyl complex.

Polarity reversal, or “umpolung”, is a widely acknowledged strategy to allow organic functional groups amenable to react in alternative ways to the usual preference set by their...

These files contain the data that were generated to produced the plots shown on Figures 1 and 2 in our manuscript 'Stochastic density functional theory for ions in a polar...

Dataset production context : The La for Pr substitution in the Ruddlesden-Popper (RP) n = 2 La3Ni2O7±δ nickelates was investigated for the first time in the whole possible...

In this study, fast-charging of lithium iron phosphate batteries is investigated with ohmic-drop compensation method. The Li-ion batteries used are C-LiFePO4 cylinder cells...

This data contains: - the molecular direct correlation functions (DCF) of bulk CO2 in four different supercritical conditions (rho = 0.4, 0.7, 0.8 and 2.0 rho_c and T = 1.2...

Dataset production context : In the present work, we report on single-phase NaxV2(PO4)3 compositions (1.5 ≤ x ≤ 2.5) of the Na super ionic conductor type, obtained from a...

The infrared spectroscopic and calorimetric data collected before and after light irradiation allow for the identification and characterization of the photoinduced nitrosyl...

This dataset contains crystallographic and microscopic characterization data of Cu7Te4 single crystalline nanorods, that are self-standing on a Pt substrate. The two-step...

The dataset covers the characterizations of the solids used in the article: "Divalent metal release and antimicrobial effects of layered double hydroxides". The file "Samples...

Data set related to the article "Disubstituted Ferrocenyl Iodo- and Chalcogenoalkynes as Chiral Halogen and Chalcogen Bond Donors" Victor Mamane, Paola Peluso, Emmanuel Aubert,...

The publication (published in the Journal of Materials Chemistry B) deals with the detailed characterization of three different poly-(2-oxazolin) based hydrogels. In this data...

Underlying data for all figures in the paper "Ratiometric fluorescent sensing of pyrophosphate with sp³-functionalized single-walled carbon nanotubes. Nat. Commun. 2024, 15, 706.

Underlying data for all figures in the paper "Synthetic Control over the Binding Configuration of Luminescent sp3-Defects in Single-Walled Carbon Nanotubes" , Nat. Commun. 2021,...

Graphene nanoribbons are one-dimensional stripes of graphene with width- and edge-structure-dependent electronic properties. They can be synthesized bottom-up to obtain precise...

All primary data files associated with this publication, experimental procedures, reaction conditions and used analytical equipment can be found in detail in the experimental...