Reference Database

Mallard W G and Linstrom P J (eds) 1988 NIST Standard Reference Database 69 http //webbook.nist.gov/ohemistry/... 

Lias S G 1998 ionization energy evaiuation NIST Chemistry WebBook, NIST Standard Reference Database Number 69 ed W G Maiiard and P J Linstrom (Gaithersburg, MD Nationai institute of Standards and Technoiogy)... 

Miscellaneous. NIST has a reference database of criticaUy evaluated x-ray photoelectron and Auger spectral data, which is designed to mn on PCs. It is searchable by spectral lines as weU as by element, line energy, and chemical data (82). The Nuclear Quadrapole Resonance Spectra Database at Osaka University of over 10,000 records is avaUable in an MS-DOS version (83). The NCLl system, SDBS, has esr and Raman spectra, along with nmr, ir, and ms data, as described. 

Stein, S. E., J. M. Rukkers, and R. L. Brown, 1991. NIST Standard Reference Database 25, The NIST Structures and Properties Database and Estimation Program, Version 1.2, September, NIST. 

H2S J.E. Bartmess, Negative Ion Energetics Data in NIST Chemistry WebBook, W. G. Mallard, P. J. Linstrom, Eds., NIST Standard Reference Database Number 69, November 1998, National Institute of Standards and Technology, Gaithersburg, MD, USA (http webbook.nist.gov/chemistry). H2S2 R. A.J. O Hair, C.H. DePuy, V. M. Bierbaum, /. Phys. Chem. 1993, 97, 7955... 

Peri S, Navarro JD, Amanchy R, Kristiansen TZ, Jonnalagadda CK, Surendra-nath V, et al. Development of human protein reference database as an initial platform for approaching systems biology in humans. Genome Res 2003 13 2363-71. 

National Institute of Standards and Technology Chemical Kinetics Database on the Web, Standard Reference Database 17, Version 7.0, Release 1.1 (2000). http //kinetics.nist.gov/. 

To extend the electrolytic conductivity reference database considerably above 1200 K, Cap2 has also been adopted as a standard by them, with extension of the temperature range for the electrolytic conductivities of KNO3 and NaCl. Their provisional recommendations as of 1991 are given in Table 3. New data recommended for molten alkah chlorides will be discussed in Section VI. 

Smith, R. M. Martell, A. E. Motekaitis, R. J, NIST Critically Selected Stability Constants of Metal Complexes Database, Version 5, NIST Standards Reference Database 46, U. S. Dept. Commerce, Gaithersburg, MD, 1998. 

In view of the fact that recent parameterisations make use of reference data from high-level calculations, the corresponding error functions used to develop these methods can in principle involve any given property that can be calculated. Thus, in addition to structural information, the error function can involve atomic charges and spin densities, the value for the wavefunction, ionisation potentials and the relative energies of different structures within the reference database [26, 32], Detailed information concerning the actual wavefunction can be extremely useful for... 

The modification of the semi-empirical Hamiltonian thus required the development of a new set of parameters for use within the PM3 method. Rather than develop a new reference database we chose to use the high-level ab initio calculations recently reported by Hobza and co-workers [1]. These calculations have been collected together in a database which can be used to judge the accuracy of less rigorous, but... 

R.D. Johnson III, NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101, Release 12,2005. Available at http //srdata.nist.gov/ cccbdb... 

Ultimately, this section is meant to function as a ready-reference database for learning or review of bioconjugate chemistry. In this regard, a reaction can be quickly found, a short discussion of its properties and use read, and a visual representation of the chemistry of bond formation illustrated. What this section is not meant to be is an exhaustive discussion on the theory or mechanism behind each reaction, nor a review of every application in which each chemical reaction has been used. For particular applications where the chemistries are employed, cross-references are given to other sections in this book or to outside literature sources. 

SG Lias, JF Liebman, RD Levin, SA Kafafi. NIST Standard Reference Database, 19A, NIST Positive Ion Energetics, Version 2.0. Gaithersburg NIST, 1993. 

National Institute of Standards and Technology. NIST Chemistry WebBook NIST Standard Reference Database Number 69. June 2005 Release, http //webbook.nist.gov/chemistry/. 2005. 

Standard Reference Database Number 69 Mallard, W.G., Linstrom, P.J., Eds. National Institute of Standards and Technology Gaithersburg, MD 20899, August 1997 (http //webbook.nist.gov). (b) Piper, L.G. J. Chem. Phys. 1979, 70, 3417. 

All values, except those indicated, were taken from the Standard Reference Database (release 69, July 2001) of the National Institute of Standards and Technology (NIST) at www.webbook.nist.gov/chemistry/. If no generally recommended value was suggested, a range of the most reliable values is given in Table 2.6-1. 

---