Subject Guide for CHEMINFO, Structure
To find and determine the structure of a chemical substance, "spectral data", "crystallographic data", or "sequence analysis" data may be used.
SPECTRA is a particular distribution of property over the components of a system. For more complete definition, see physics (QC 5), chemistry (QD 5), or science (Q 123) dictionaries.
Contents
Books
To find books on "spectra", do a subject search on the PAC library catalog under SPECTRA, OR SPECTRUM ANALYSIS, or ABSORPTION SPECTRA, or SPECTRUM, ULTRAVIOLET, or MASS SPECTROMETRY.[Top of page ]
Databases
- C-13-NMR/IR Database
- Contains information extracted from 20 core journals, spectra catalogs and
unpublished data. Database can be searched by chemical shifts, molecular formulas, name
fragments, structures, and sub-structures. This online database is available only from the
STN system. To search this database consult a Reference Librarian.
Dictionaries
- A Dictionary of Spectroscopy. 2nd ed. New York: Wiley, 1982.
QC 450.3 D46 1982 5th Floor Books - Contains the most commonly used terms, expressions, and equations. Includes
illustrations, abbreviations, SI units and references.
Handbooks
- Handbook of Spectroscopy. Boca Raton, LA: CRC Press, 1991.
QD 95 P73 1991 Reference - Contains extensive tabular data.
Tables
- Atlas of Spectral Data and Physical Constants for Organic
Compounds, edited by J.G. Grosselli and W.M. Ritchey. 2nd ed. Cleveland,
OH: CRC Press, 1975. (6 volumes)
QD 257.7 G7 1975 Reference/Oversize - Contains IR, Raman, ultraviolet, proton and carbon-13 NMR, and mass
spectra.
- Eight Peak Index of Mass Spectra. 3rd ed. Aldermaston,
England: Mass Spectrometry Data Centre, 1983. (3 volumes in 7)
QC 454 M3 M36 1983 5th Floor Books - A comprehensive index covering the collections of several organizations such as
NIH-EPA, ASTM, Thermo- dynamics Research Center, Dow Chemical Company. Arranged
by molecular weight and the mass-to-charge ratios of the peaks.
- Infrared Spectra of Inorganic Compounds, by R.A. Nyquist
and R.O. Kagel. New York: Academic Press, 1971.
QC 457 N93 5th Floor Books - Includes 900 spectra of salts, oxides, and coordination compounds.
- Sadtler Research Laboratory Spectral Collections.
Chemistry Building. - The spectral collections produced by this laboratory through the 1980s are housed in
the Chemistry Building. These are infrared, proton NMR, carbon-13 NMR, and ultraviolet
spectra.
- Wiley/NBS Registry of Mass Spectral Data, by F.W.
McLafferty and D.B. Stauffer. New York: Wiley, 1989. (7 volumes)
QC 454 M3 M395 1989 5th Floor Books - Gives mass spectral data corresponding to specific compounds. Entries contain
molecular weight, elemental composition, RN, source, bar graph, preferred CAS name.
Common names may also be listed. Includes compound name, elemental composition, and
RN indexes.
Journals
- Absorption Spectra in the Ultraviolet and Visible Region.
New York: Academic Press, 1961-to date.
QC 437 L322 5th Floor Books - Contains actual spectrographs. Indexed by names and formulas.
- Organic Electronic Spectral Data. New York: Wiley, 1960-to date.
QC 437 O65 Compact Shelf/B - Arranged by molecular formula. Gives name, solvent or phase, and wavelength
values. Lists references to the original literature.
CRYSTALLOGRAPHY is the study of crystals, their geometry, and their internal arrangement.
Contents
Books
To locate books, do a subject search on the PAC library catalog under CRYSTALLOGRAPHY, or CRYSTALS, or CRYSTALLOGRAPHY-TABLES.[Top of page ]
Atlases
- Historical Atlas of Crystallography, edited by J. Lima-de-Fario.
Dordrecht, Boston: Kluwer Academic, 1990.
QD 903 H57 1990 folio 5th Floor
Handbooks
- Handbook of Crystallography, by A.G. Jackson. New
York: Springer Verlag, 1991.
QD 908 J33 1991 5th Floor Books
- Crystal Orientation Manual, by E.A. Wood. New York: Columbia University Press, 1963.
QD 905 W58 5th Floor Books
- Crystal Orientation Manual, by E.A. Wood. New York: Columbia University Press, 1963.
Journals
- Acta Crystallographica. Section B: Structural Science,
1983-to date.
QD 901 A311 Periodicals
- Journal of Crystal and Molecular Structure, 1971-1981.
- Journal of Crystallographic and Spectroscopic Research, 1982-to date.
QD 921 J6 Science Periodicals
- Journal of Crystal and Molecular Structure, 1971-1981.
Tables
- Crystal Data; Determinative Tables. 2nd ed. Washington,
DC: American Crystallographic Association, 1963. (2 volumes)
QD 951 D6 1963 Compact Shelf/B - Contains data through 1960; excludes almost all alloys. Includes systematic and
determinative tables and formula and name indexes.
- International Tables for X-Ray Crystallography.
Birmingham, England: Kynock Press, 1952-1962. (3 volumes)
QD 945 I55 5th Floor Books - Contains information for determining crystal structures or x-ray methods to study
crystallo- graphy and information on symmetry groups. Has basic definitions, a glossary (in
English, French, Russian, German, and Spanish) and subject index. Includes physical,
chemical, and mathematical tables.
SEQUENCE ANALYSIS is the determination of amino acids in a peptide, etc. or the determination of the order of nucleotides in a polynucleotide strand, etc.
Contents
Books
To locate books, do a subject search on the PAC library catalog under NUCLEOTIDE SEQUENCE, or STEREO-CHEMISTRY, or PROTEINS, or STEROIDS.[Top of page ]
Handbooks
- Handbook of Protein Sequence Analysis. 2nd ed.
Chichester, England; New York: Wiley, 1980.
QP 551 C77 1980 - A collection of protein and peptide amino acid sequence information. Excludes cyclic
peptides and those with D-amino acids. Includes references and author, protein sources and
protein name indexes.
Tables
- Atlas of Stereochemistry, by J. Buckingham and R.A. Hill.
London; New York: Chapman and Hall, 1986.
QD 481 K642 1978 Reference - Covers the field of organic and organometallic stereochemistry. Ccontains data
concerning the absolute configurations of chiral molecules. Excludes metal complexes. Has
bibliographic references.
- Nucleic Acid Sequence Analysis, by S. Mandeles. New
York: Columbia University Press, 1972.
QP 551 M26 5th Floor Books
- Atlas of Protein Sequence and Structure. Silver Spring, MD: National Biomedical Research Foundation, 1965. (5 volumes)
QD 431 A85 Compact Shelf/B - Atlas of Protein Sequence and Structure. Silver Spring, MD: National Biomedical Research Foundation, 1965. (5 volumes)
- A collection of the known protein and nucleotide sequences and other related data.
Includes references, foldouts; author and subject indexes.
