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Results of Property Search:
1 database found for vibrational frequency.
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.

The following Journal of Physical and Chemical Reference Data articles may also be of interest:
Adobe Acrobat Reader is required to view these articles. (14 articles(s) found)
glass ball Ideal Gas Thermodynamic Properties of Sulphur Heterocyclic Compounds
O. V. Dorofeeva, L. V. Gurvich
JPCRD 24(3) pp. 1351-1375 (1995)
Full Text: PDF
glass ball NIST-JANAF Thermochemical Tables for Iodine Oxides
Malcolm W. Chase
JPCRD 25(5) pp. 1297-1340 (1996)
Full Text: PDF
glass ball NIST-JANAF Thermochemical Tables for the Bromine Oxides
Malcolm W. Chase
JPCRD 25(4) pp. 1069-1111 (1996)
Full Text: PDF
glass ball NIST-JANAF Thermochemical Tables for the Oxygen Fluorides
Malcolm W. Chase
JPCRD 25(2) pp. 551-603 (1996)
Full Text: PDF
glass ball NIST-JANAF Thermochemical Tables. I. Ten Organic Molecules Related to Atmospheric Chemistry
Olga Dorofeeva, Vladimir P. Novikov, David B. Neumann
JPCRD 30(2) pp. 475-513 (2001)
Abstract
glass ball Physical and Thermodynamis properties of Aliphatic Alcohols
R. C. Wilhoit, B. J. Zwolinski
JPCRD 2(Supplement 1) pp. 1-420 (1973)
Full Text: PDF
glass ball Tables of Molecular Vibrational Frequencies, Part 10
Takehiko Shimanouchi, Hiroatsu Matsuura, Yoshiki Ogawa, Issei Harada
JPCRD 9(4) pp. 1149-1254 (1980)
Full Text: PDF
glass ball Tables of Molecular Vibrational Frequencies, Part 8
T. Shimanouchi
JPCRD 3(1) pp. 269-308 (1974)
glass ball Tables of Molecular Vibrational Frequencies, Part 9
Takehiko Shimanouchi, Hiroatsu Matsuura, Yoshiki Ogawa, Issei Harada
JPCRD 7(4) pp. 1323-1443 (1978)
Full Text: PDF
glass ball Tables of Molecular Vibrational Frequencies. Consolidated Volume II.
T. Shimanouchi
JPCRD 6(3) pp. 993-1102 (1977)
Full Text: PDF
glass ball The Ideal Gas Thermodynamics of Diesel Fuel Ingredients. I. Naphthalene Derivatives and Their Radicals
Henry Curran, Christine Wu, Nick Marinov, W. J. Pitz, Charles K. Westbrook, Alexander Burcat
JPCRD 29(3) pp. 463-517 (2000)
Abstract
glass ball Thermochemical Properties of Si2F6 and SiF4 in Gas and Condensed Phases
John L. Lyman, Tetsuji Noda
JPCRD 30(1) pp. 165-186 (2001)
Abstract
glass ball Thermodynamic Properties of Ideal Gas Nitro and Nitrate Compounds
Alexander Burcat
JPCRD 28(1) pp. 63-130 (1999)
Abstract
glass ball Vibrational Spectroscopic Database on Acetylene, X~1Sigma<sup>+</sup><sub>g</sub> (12C2Hc, 12C2D2, and 13C2H2)
M. Herman, A. Campargue, M. I. El Idrissi, J. Vander Auwera
JPCRD 32(3) pp. 921-1361 (2003)
Abstract


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