Contributors: Patricia Sawamura, Nicholas Pringle
... Internal testing - Mendeley data - fake data
Contributors: Kartik Josyula, . Rahul, Suvranu De
... Raw data from the LAMMPS simulator for the MD study of α-γ Phase Transformation in RDX. The "log.*.data" contains the crystallographic parameters and energy terms of SB potential at various simulation times. Each data file indicates the temperature at which the data is collected. The "thermo_style" command from LAMMPS indicating the format of the data is given below. thermo_style custom step xlo xhi ylo yhi zlo zhi xy yz xz cella cellb cellc vol pxx pyy pzz pxy pyz pxz press temp pe ke f_1 evdwl ecoul ebond eangle edihed eimp elong etail Refer to https://lammps.sandia.gov/doc/thermo_style.html for more details on description of each keyword. Details of "f_1" can be found at https://lammps.sandia.gov/doc/fix_nh.html. The "atom_positions" folder contains 7 subfolders for each temperature from 300 K to 450 K (increments of 25 K) for which the MD simulations were performed. The "atm_pos*.lst" files in these subfolders contains the atomic positions for all molecules at that temperature for the timestep indicated in the file name. The atom coordinates are provided only for the 3 Carbon atoms and 6 Nitrogen atoms of an RDX molecule since these are the only atoms used to calculate the wag angles of the molecule. The atom coordinates are given after including the effect of the atom passing through the periodic boundaries. The format of the atomic position data is given below. Atom ID (1-3024), Molecule ID (1-144), Atom Type (1-3), Atom Charge, "X, Y, Z Atom Coordinates".
Data for the manuscript "Facile noncovalent modification of carbon fibers with functionalized microparticles of multilayered graphenes"
Contributors: Grigoriy Sereda, Roman Sarder, Joseph Keppen
... Raw characterization data of the materials referenced in the manuscript. Each file name contains the method (XPS, FTIR, DLS, surface analysis or XRD), the sample code matching the one in the manuscript, and pH values if applicable.
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Code/Data for: Multi-omic Dissection of Oncogenically Active Epiproteomes Identifies Drivers of Proliferative and Invasive Breast Tumors
Contributors: John Wrobel
... R scripts and data files for analysis of TCGA and METABRIC datasets for Wrobel et al. (2019). Multi-omic Dissection of Oncogenically Active Epiproteomes Identifies Drivers of Proliferative and Invasive Breast Tumors. iScience. DOI: https://doi.org/10.1016/j.isci.2019.07.001
Contributors: Denis Mikryukov
... Here we store the coefficients of the planetary disturbing function in computer-readable form. These were obtained by Maxima computer algebra system. The method is described by Laskar and Robutel (CMDA, 62, 193-217, 1995). We should note that our coefficients of secular Hamiltonian up to degree 4 coincide with those presented by Laskar and Robutel (see Section 7, CMDA, 62, 193-217, 1995). Therefore we hope that our expansions are error free. We plan to provide more thorough and complete comments on all of these data in the near future.
Data for: Evaluation of implants placed in preserved sockets versus fresh sockets on tissue preservation and esthetics: Meta-analysis and systematic review
Contributors: Sijing Xie, Qingang Hu, Yongbin Mu, Li Wu, Xuna Tang, Weibin Sun, Jie Yang, Xin Zhou
... The files showed phased objectives of literature search and selection and statistical analysis, which could be of some help to understand our studies better.
Data for: Prediction of high-resolution reservoir facies and permeability, an integrated approach in the Irwin River Coal Measures Formation, Perth Basin, Western Australia
Contributors: Abdelrahman Elkhateeb
... Attached the LAS files for the raw log/core data and the results including the facies logs and the predicted permeability log
Contributors: Marsel Rabaev, Handy Pratama, Ka Ching Chan
... This data set was generated using Arena Simulation
Contributors: Laurent Remusat
... Dataset from heating experiment on Orgueil IOM. NanoSIMS, FTIR, XANES and Raman data.