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3,961 to 3,970 of 11,649 Results

Replication Data for: Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors Sep 15, 2021 Brakestad, Anders; Wind, Peter; Jensen, Stig Rune; Frediani, Luca; Hopmann, Kathrin Helen, 2021, "Replication Data for: Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors", https://doi.org/10.18710/WA5YCF, DataverseNO, V2 Introduction This Dataverse record contains data for reproducing the results in our corresponding journal article. For more information about the computational protocols used to generate the data, please see the journal article or the ChemRxiv entry (see below). How to use This data set two data files: molecular coordinates (ALL_GEOMETRIES.txt) and...
00_ReadMe.txt Feb 8, 2021 - Replication Data for: Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors Plain Text - 7.8 KB - MD5: 9ab19bc224acbbd4262a9de6c15ea030
ALL_GEOMETRIES.txt Feb 8, 2021 - Replication Data for: Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors Plain Text - 99.7 KB - MD5: 7921b9e366155f77d89545f02dfd9653
Raw_Data.csv Sep 15, 2021 - Replication Data for: Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors Comma Separated Values - 379.5 KB - MD5: a91094f3b91ebc2a4527d754591d1e98 All GTO and MW energies plus additional metadata
Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues Jul 9, 2021 Ancin-Murguzur, Francisco Javier, 2021, "Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues", https://doi.org/10.18710/5PX1GJ, DataverseNO, V1 1. Stable isotopes analysis (SIA) of carbon and nitrogen provides valuable information about trophic interactions and animal feeding habits. 2. We used near-infrared reflectance spectroscopy (NIRS) and support vector machines (SVM) to develop a model for screening isotopic ratios of carbon and nitrogen (δ13C and δ15N) in samples from living animals...
00_README.txt Jul 9, 2021 - Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues Plain Text - 4.3 KB - MD5: e894a4c6a2a7a6c56193edad94b05e96 README file
Script.R Jul 9, 2021 - Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues R Syntax - 5.9 KB - MD5: aedacc09bfa6ffabbe0f9c029864a811 The "Script.R" file contains all the required R commands to develop the main model described in the related publication
Spectra.txt Jul 9, 2021 - Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues Plain Text - 30.0 MB - MD5: 7591534c20ec2d832f94a53bb7677f3c The "Spectra.txt" file contains the reference spectral dataset, with columns named with their corresponding wavelength number (X350 to X2450) and the sample identifier ("Sample")
Values.txt Jul 9, 2021 - Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues Plain Text - 10.6 KB - MD5: ed8103b3925e9bc9cfb0df4aa4d8794f The "Values.txt" file contains the reference chemical values for d13C, d15N, C, N and the C/N ratios (with equivalent column names) as well as the sample identifier
Replication Data for: Time distribution for pharmacists conducting a randomized controlled trial – an observational time and motion study Mar 22, 2021 Havnes, Kjerstin, 2021, "Replication Data for: Time distribution for pharmacists conducting a randomized controlled trial – an observational time and motion study", https://doi.org/10.18710/PWFB8M, DataverseNO, V1, UNF:6:/squtoJJFkQlJ4Yn6jv8/w== [fileUNF] The data provided is from an observational time and motion study of clinical pharmacists implementing a clinical intervention in a geriatric ward. The aim was to investigate the time distribution for the pharmacists when conducting the randomized controlled trial (RCT) implementing a clinical intervention. Materials and methods: The setting was an...

Replication Data for: Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors

Sep 15, 2021

Brakestad, Anders; Wind, Peter; Jensen, Stig Rune; Frediani, Luca; Hopmann, Kathrin Helen, 2021, "Replication Data for: Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors", https://doi.org/10.18710/WA5YCF, DataverseNO, V2

Introduction This Dataverse record contains data for reproducing the results in our corresponding journal article. For more information about the computational protocols used to generate the data, please see the journal article or the ChemRxiv entry (see below). How to use This data set two data files: molecular coordinates (ALL_GEOMETRIES.txt) and...

00_ReadMe.txt

Feb 8, 2021 - Replication Data for: Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors

Plain Text - 7.8 KB -

ALL_GEOMETRIES.txt

Feb 8, 2021 - Replication Data for: Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors

Plain Text - 99.7 KB -

Raw_Data.csv

Sep 15, 2021 - Replication Data for: Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors

Comma Separated Values - 379.5 KB -

All GTO and MW energies plus additional metadata

Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues

Jul 9, 2021

Ancin-Murguzur, Francisco Javier, 2021, "Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues", https://doi.org/10.18710/5PX1GJ, DataverseNO, V1

1. Stable isotopes analysis (SIA) of carbon and nitrogen provides valuable information about trophic interactions and animal feeding habits. 2. We used near-infrared reflectance spectroscopy (NIRS) and support vector machines (SVM) to develop a model for screening isotopic ratios of carbon and nitrogen (δ13C and δ15N) in samples from living animals...

00_README.txt

Jul 9, 2021 - Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues

Plain Text - 4.3 KB -

README file

Script.R

Jul 9, 2021 - Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues

R Syntax - 5.9 KB -

The "Script.R" file contains all the required R commands to develop the main model described in the related publication

Spectra.txt

Jul 9, 2021 - Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues

Plain Text - 30.0 MB -

The "Spectra.txt" file contains the reference spectral dataset, with columns named with their corresponding wavelength number (X350 to X2450) and the sample identifier ("Sample")

Values.txt

Jul 9, 2021 - Replication Data for: Using near-infrared reflectance spectroscopy (NIRS) to predict carbon and nitrogen stable isotope composition in animal tissues

Plain Text - 10.6 KB -

The "Values.txt" file contains the reference chemical values for d13C, d15N, C, N and the C/N ratios (with equivalent column names) as well as the sample identifier

Replication Data for: Time distribution for pharmacists conducting a randomized controlled trial – an observational time and motion study

Mar 22, 2021

Havnes, Kjerstin, 2021, "Replication Data for: Time distribution for pharmacists conducting a randomized controlled trial – an observational time and motion study", https://doi.org/10.18710/PWFB8M, DataverseNO, V1, UNF:6:/squtoJJFkQlJ4Yn6jv8/w== [fileUNF]

The data provided is from an observational time and motion study of clinical pharmacists implementing a clinical intervention in a geriatric ward. The aim was to investigate the time distribution for the pharmacists when conducting the randomized controlled trial (RCT) implementing a clinical intervention. Materials and methods: The setting was an...

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