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Results of Keyword Search:
5 databases found for thermochemistry.
glass ball SRD 69 NIST Chemistry WebBook (Web, free access)  Keywords for Database
The NIST Chemistry WebBook contains: Thermochemical data for over 7000 organic and small inorganic compounds; thermochemistry data for over 8000 reactions; IR spectra for over 16,000 compounds; mass spectra for over 33,000 compounds; UV/Vis spectra for over 1600 compounds; electronic and vibrational spectra for over 5000 compounds; constants of diatomic molecules(spectroscopic data) for over 600 compounds; ion energetics data for over 16,000 compounds; thermophysical property data for 74 fluids.
glass ball SRD 101 NIST Computational Chemistry Comparison and Benchmark Database (Web, free access)  Keywords for Database
The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals are to provide a benchmark set of molecules for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of thermochemical properties.
glass ball SRD 4 NIST Libraries of Peptide Fragmentation Mass Spectra Databass (PC database for purchase)  Keywords for Database
Interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components. The components are selected from a database of 196 components, mostly hydrocarbons.
glass ball SRD 23 NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP) (PC database for purchase)  Keywords for Database
NIST 23 contains revised data in a Windows version of the database, including 105 pure fluids and allowing mixtures of up to 20 components. The fluids include the environmentally acceptable HFCs, traditional HFCs and CFCs and 'natural' refrigerants like ammonia
glass ball SRD 73 NIST REFLEAK: NIST Leak/Recharge Simulation Program for Refrigerant Mixtures (PC database for purchase)  Keywords for Database
REFLEAK estimates composition changes of zeotropic mixtures in leak and recharge processes.

The following Journal of Physical and Chemical Reference Data articles may also be of interest:
Adobe Acrobat Reader is required to view these articles. (7 articles(s) found)
glass ball Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons
Maria Victoria Roux, Manuel Temprado, James S. Chickos, and Yatsuhisa Nagano
JPCRD 37(4) pp. 1855-1996 (2008)
Abstract
glass ball Energetics of the O-H Bond in Phenol and Substituted Phenols: A Critical Evaluation of Literature Data
Rui M. Borges dos San, Jose A. Martinho Simo
JPCRD 27(3) pp. 707-739 (1998)
Full Text: PDF
glass ball The NBS Tables of Chemical and Thermodynamic Properties. Selected Values for Inorganic and C1 and C2 Organic Substances in SI Units
Donald D. Wagman, William H. Evans, Vivian B. Parker, Richard H. Schumm, Iva Halow, Sylvia M. Bailey, Kenneth L. Churney, Ralph L. Nuttall
JPCRD 11(Supplement 2) pp. 1-392 (1982)
Full Text: PDF
glass ball Thermochemical Data on Gas Phase Compounds of Sulfur, Fluorine, Oxygen, and Hydrogen Related to Pyrolysis and Oxidation of Sulfur Hexafluoride
John T. Herron
JPCRD 16(1) pp. 1-6 (1987)
Full Text: PDF
glass ball Thermodynamic and Thermophysical Properties of Organic Nitrogen Compounds. Part II
A. Das, M. Frenkel, N. A. M. Gadalla, S. Kudchadker, K. N. Marsh, A. S. Rodgers, R. C. Wilhoit
JPCRD 22(3) pp. 659-782 (1993)
Full Text: PDF
glass ball Thermodynamic and Thermophysical Properties of Organic Nitrogen Compounds. Part I. Methanamine, Ethanamine, 1 and 2-Propanamine, Benzenamine, 2-, 3-, and 4-Methylbenzenamine
J. Chao, N. A. M. Gadella, B. E. Gammon, K. N. Marsh, A. S. Rodgers, G. R. Somayajulu, R. C. Wilhoit
JPCRD 19(6) pp. 1547-1615 (1990)
Full Text: PDF
glass ball Use of Semiempirical Methods for Detecting Anomalies in Reported Enthalpies of Formation of Organic Compounds
James J. P. Stewart
JPCRD 33(3) pp. 713-724 (2004)
Abstract


Last modified: November 6, 2008 (Created: November 9, 2001)
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