70,542 Works

dataset

First Last
description

dataset title

First Last
description and abstract

Influence of Hydrogen Bonding on the Kinetic Stability of Vapor Deposited Glasses of Triazine Derivatives

Audrey Laventure, Ankit Gujral, Olivier Lebel, Mark Ediger & Christian Pellerin
It has recently been established that physical vapor deposition (PVD) can produce organic glasses with enhanced kinetic stability, high density, and anisotropic packing, with the substrate temperature during deposition (Tsubstrate) as the key control parameter. The influence of hydrogen bonding on the formation of PVD glasses has not been fully explored. Herein, we use a high-throughput preparation method to vapor-deposit three triazine derivatives over a wide range of Tsubstrate, from 0.69 to 1.08Tg, where Tg...

Photostability can be significantly modulated by molecular packing in glasses

Mark Ediger, Juan De Pablo, Lucas Anthony & Yue Qiu
While previous work has demonstrated that molecular packing in organic crystals can strongly influence photochemical stability, efforts to tune photostability in amorphous materials have shown much smaller effects. Here we show that physical vapor deposition can substantially improve the photostability of organic glasses. Disperse Orange 37 (DO37), an azobenzene derivative, is studied as a model system. Photostability is assessed through changes in the density and molecular orientation of glassy thin films during light irradiation. By...

Upper limb motor coordination based early diagnosis in high risk subjects for Autism

Mohammad Wedyan & Adel Al-Jumaily
Autism is a lifelong condition present from early childhood. Medical specialists' diagnosis autism based on observation is of great difficulty in communicating, difficulties for forming relationships with other people, and delayed speech. The scientists tried to discover other early signs to reach the early detection of Autism Spectrum Disorders (ASD). Early diagnosing is very important to initiate and improve treatment results. One of these signs is based on examination of upper limb motor movements. This...

Materials Data on VO2 (SG:14) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Y(PO3)3 (SG:9) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Sr5(Ga3O7)2 (SG:14) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on H6PbCNCl3 (SG:6) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on ZnSiO3 (SG:148) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on LiC12 (SG:191) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Rb2Si(S2O7)3 (SG:147) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on RbMgBO3 (SG:198) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Si(GeN2)2 (SG:227) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on NaPO3 (SG:2) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on NaLaSiO4 (SG:33) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on P3Pd (SG:204) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on RbY(PO3)4 (SG:14) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on SrGe(PO4)2 (SG:15) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on ZnSiN2 (SG:33) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on CsNaICl (SG:123) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Li4P2O7 (SG:2) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Zr2Ga(PO4)3 (SG:167) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Sr2Ga2O5 (SG:61) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Na8N3O (SG:221) by Materials Project

Kristin Persson
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Resource Types

  • Dataset
    70,542

Publication Year

  • 2017
    954
  • 2016
    32,416
  • 2015
    2,325
  • 2014
    33,839
  • 2013
    152
  • 2012
    151
  • 2011
    124
  • 2010
    73
  • 2008
    42
  • 1998
    34
  • 1997
    43
  • 1996
    59
  • 1994
    39
  • 1993
    34
  • 1990
    51

Data Centers

  • Materials Project, Lawrence Berkeley National Laboratory
    68,409
  • Oak Ridge National Laboratory - Atmospheric Radiation Measurement (ARM) Data Archive
    850
  • DOE Geothermal Data Repository
    401
  • AmeriFlux
    170
  • US Department of Agriculture, Agricultural Data Commons
    156
  • National Institutes of Health, National Institute of Mental Health
    98
  • Atmosphere to Electrons (A2e) Data Archive and Portal
    97
  • DOE Generic
    65
  • NGEE-Arctic (Next Generation Ecosystems Experiement)
    61
  • Carbon Dioxide Information Analysis Center (TC)
    52
  • Coherent X-ray Imaging Data Bank
    52
  • National Renewable Energy Laboratory (NREL)
    41
  • US Lattice Quantum Chromodynamics Collaboration (USQCD)
    35
  • DOE Marine and Hydrokinetic Data Repository
    18
  • Pegasus Toroidal Experiment, University of Wisconsin-Madison
    7