| Directory > Science > Chemistry > Physical > Databases Surface Tension Data
Surface tension values of some common test liquids for surface energy analysis.
http://www.surface-tension.de
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Materials Thermochemistry (Middlesex, UK)
Provides thermodynamic databases, data assessment, and consulting services to companies working
with a variety of commercial and industrial materials. Information on training courses, models,
downloads, example applications, and leasing databases.
http://www.npl.co.uk/npl/cmmt/mtdata/
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William R. Wiley Environmental Molecular Sciences Laboratory
A collection of information obtained from ab initio electronic structure calculations, as well as
related experimental data and literature citations. Java database interface.
http://www.emsl.pnl.gov:2080/proj/crdb/
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University of Alberta
Tables of chemical data for Fundamental Physical Constants, Relative Atomic Masses of the
Chemical Elements, Molar Thermodynamic Properties of Pure Substances, Molar Thermodynamic
Properties of Aqueous Solutes, Ionization Constants of Aqueous Monoprotic Acids, Ionization
Constants of Aqueous Polyprotic Acids, Solubility Products of Slightly Soluble Salts,
Stability Constants of Aqueous Complex Ions, and Aqueous Standard Reduction Potentials.
http://www.chem.ualberta.ca/courses/plambeck/p101.new/p0040x.htm
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Quest Consultants
Source of thermodynamic data useful in handling phase transitions. The data are given as a
function of temperature and pressure for single components and mixtures. Also links to Bubble
Points, Dew Points, and Enthalpy-Pressure Diagram Pages.
http://www.questconsult.com/~jrm/thermot.html
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Pseudopotentials
Energy-consistent pseudopotentials of the Stuttgart/Bonn group (semi-local pseudopotentials
adjusted to reproduce atomic valence-energy spectra) for every element in the periodical table.
Provided by the University of Stuffgart.
http://www.theochem.uni-stuttgart.de/pseudopotentiale/
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NIST Physical Reference Data
Database holding information on fundamental physical constants, atomic spectra, molecular
spectroscopic data, ionization data, X-Ray and Gamma-Ray data, radiation dosimetry data, nuclear
physics data, and condensed matter physics data.
http://physics.nist.gov/PhysRefData/contents.html
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The Radiation Chemistry Data Center of the Notre Dame Radiation Laboratory
Chemical property data (such as reaction rate constants, and redox potentials,) historic
bibliographic information from the RCDC bibliographic database, and recent papers in radiation
chemistry and photochemistry. Also includes an on-line continuation of the Biweekly List of Papers
in Radiation Chemistry and Photochemistry.
http://allen.rad.nd.edu/
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Naval Research Laboratory Electronic Structure Calculations Database
Band structure, total energy, density of states, and derived quantities for most Periodic elements,
hydrides, carbides, nitrides, and oxides.
http://cst-www.nrl.navy.mil/database.html
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Quantum Chemistry Literature DataBase
A literature database on ab initio MO calculations published in major journals of Chemistry,
Physics and Computer Science since 1978.
http://qcldb.ims.ac.jp/index.html
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GRI-Mech
site at Berkeley also has selected kinetic rate constants and parameters for reactions involving
the species included in their database.
http://www.me.berkeley.edu/gri_mech/data/rxns_static.html
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National Institute of Standards and Technology WebBook
Thermochemical data for over 6000 organic and small inorganic compounds. Reaction thermochemistry
data for over 9000 reactions. IR spectra for over 8700 compounds. Mass spectra for over 12,000
compounds. UV/Vis spectra for over 400 compounds. Electronic and vibrational spectra for over 4000
compounds. Constants of diatomic molecules (spectroscopic data) for over 600 compounds. Ion
energetics data for over 16,000 compounds. Thermophysical property data for 33 fluids.
http://webbook.nist.gov/
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Fundamental Physical Constants from NIST
The values of the fundamental physical constants provided at this site are recommended for
international use by CODATA and are the latest available.
http://physics.nist.gov/cuu/Constants/
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EMSL Gaussian Basis Sets
Extensible Computational Chemistry Environment Basis Set Database, Version 8/01/01, as developed
and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences
Laboratory which is part of the Pacific Northwest Laboratory.
http://www.emsl.pnl.gov:2080/forms/basisform.html
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JPL Molecular Spectroscopy
Database which has an extensive library including programs for fitting spectra and spectral line
files for a large number of molecules. Use requires knowledge of spectroscopy and quantum
mechanics.
http://spec.jpl.nasa.gov/
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Dielectric Constant Reference Guide
Single page of several hundred chemicals, sorted by name, with associated dielectric constant.
http://www.asiinstr.com/dc1.html
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Computational Chemistry Comparison and Benchmark Database
Database of molecules with well established heat of formation, no atoms with atomic number greater
than 17 (Chlorine,) and six or fewer heavy atoms and twenty or fewer total atoms.
http://srdata.nist.gov/cccbdb/Default.htm
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The NCI database
ftp://helix.nih.gov/ncidata
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