Databases Physical Chemistry

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.

• 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 a
• The Radiation Chemistry Data Center of the Notre Dame Radiation Laboratory - Chemical property data (such as reaction rate constants, and redox chemistry potentials,) historic bibliographic information from the RCDC bibliographic database, and chemistry recent papers in radiation chemistry and photochemistry. Also includes an chemistry on-line continuation of
• JPL Molecular Spectroscopy - Database which has an extensive library including programs for fitting chemistry spectra and spectral line files for a large number of chemistry molecules. Use requires knowledge of spectroscopy and quantum mechanics.
• Dielectric Constant Reference Guide - Single page of several hundred chemicals, sorted by name, with physical associated dielectric constant.
• Bulk Density Chart - Densities in standard and metric form, grouped by databases first letter of the product.
• NIST Physical Reference Data - Database holding information on fundamental physical constants, atomic spectra, molecular chemistry spectroscopic data, ionization data, X-Ray and Gamma-Ray data, radiation dosimetry chemistry data, nuclear physics data, and condensed matter physics data.
• GRI-Mech - site at Berkeley also has selected kinetic chemistry rate constants physical and parameters for reactions involving chemistry the species included in physical their database.
• Surface Tension Data - Surface tension values of some common test liquids physical for surface physical energy analysis.
• Fundamental Physical Constants from NIST - The values of the fundamental physical constants provided databases at this physical site are recommended for international use databases by CODATA and are physical the latest available.
• EMSL Gaussian Basis Sets - Extensible Computational Chemistry Environment Basis Set Database, Version 8/01/01, as physical developed and distributed by the Molecular Science Computing Facility, Environmental physical and Molecular Sciences Laboratory which is part of the Pacific physical Northwest Laboratory
• Naval Research Laboratory Electronic Structure Calculations Database - Band structure, total energy, density of states, and derived quantities chemistry for most Periodic elements, hydrides, carbides, nitrides, and oxides.
• Quantum Chemistry Literature DataBase - A literature database on ab initio MO calculations published in major journals of Chemistry, Physics and Computer Science since 1978.
• Developmental Therapeutics Program NCI/NIH - As the drug discovery and development arm of the National Cancer Institute, the Developmental Therapeutics Program (DTP) plans, conducts, and facilitates development of therapeutic agents for cancer and AIDS.
• University of Alberta - Tables of chemical data for Fundamental Physical Constants, physical Relative Atomic Masses of the Chemical Elements, physical Molar Thermodynamic Properties of Pure Substances, physical Molar Thermodynamic Properties of Aqueous Solutes, Ionization physical Constants of Aqueous

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