Brief Records : EPA National Library Catalog

Items Found: 265

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Your Search: (SUBJECT=Molecular structure.)

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OLS Field Name OLS Field Data
Full Record Document Number: 26
Main Title CICIS Chemical Inventory Information Tape.
Author April, Robert ; Harvey, Chris ;
CORP Author Environmental Protection Agency, Washington, DC.
Year Published 1979
Report Number EPA/DF-79/005;
Stock Number PB-295 108
Additional Subjects Data file ; Chemical compounds ; Inventories ; Molecular structure ; Magnetic tapes ;
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NTIS  PB-295 108 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/23/1988
Collation mag tape

Full Record Document Number: 27
Main Title CLOGP Source Code.
Author Kaufman, D. ; Kinerson, R. ;
CORP Author Environmental Protection Agency, Washington, DC. Office of Toxic Substances.
Year Published 1985
Report Number EPA/SW/MT-86/002;
Stock Number PB86-112448
Additional Subjects Software ; Molecular structure ; Water ; Octanol ; Environmental surveys ; Magnetic tapes ; Fortran ; Toxic substances ; Source codes ; CLOGP program
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NTIS  PB86-112448 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/21/1988
Collation mag tape

Full Record Document Number: 28
Main Title Comparative analysis of dioxins and furans by electron impact, high resolution mass spectrometry and by electron capture, negative ionization, and low resolution mass spectrometry /
Author Koester, C. J. ; Harless, R. L. ; Hites, R. A.
CORP Author Indiana Univ. at Bloomington.;Environmental Protection Agency, Research Triangle Park, NC. Atmospheric Research and Exposure Assessment Lab.
Publisher Indiana University for US Environmental Protection Agency, Atmospheric Research and Exposure Assessment Laboratory,
Year Published 1990
Report Number EPA-R-812588; EPA/600/D-90/111
Stock Number PB90-263054
Subjects Dioxin. ; Furans.
Additional Subjects Chlorine aromatic compounds ; Mass spectroscopy ; Ionization ; Air pollution ; Molecular structure ; Hazardous materials ; Reprints ; Dioxins ; Health hazards ; Air sampling ; Trace contaminants
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NTIS  PB90-263054 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 01/01/1988
Collation 4 pages ; 29 cm

Full Record Document Number: 29
Main Title Comparative Molecular Field Analysis of Polyhalogenated Dibenzo-p-dioxins, Dibenzofurans, and Biphenyls.
Author Waller, C. L. ; McKinney, J. D. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC. Environmental Toxicology Div. ;North Carolina Univ. at Chapel Hill. School of Pharmacy.
Publisher cOct 92
Year Published 1992
Report Number EPA/600/J-94/334;
Stock Number PB94-202108
Additional Subjects Toxicity ; Chlorinated aromatic hydrocarbons ; Risk assessment ; Pharmacokinetics ; In vitro analysis ; Molecular structure ; Predictions ; Stereochemistry ; Aryl hydrocarbon receptors ; Enzymes ; Furans ; Dioxin ; Biphenyl ; Models ; Reprints ; QSAR(Quantitative Structure-Activity Relationship) ; Quantitative Structure-Activity Relationship ; PBPK(Physiologically-based pharmacokinetics) ; TCDD(2-3-7-8-Tetrachlorodibenzo-p-dioxin)
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NTIS  PB94-202108 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 11/11/1994
Collation 10p

Full Record Document Number: 30
Main Title Comparison of Emissions and Organic Fingerprints from Combustion of Oil and Wood.
Author Steiber, R. S. ; McCrillis, R. C. ;
CORP Author Environmental Protection Agency, Research Triangle Park, NC. Air and Energy Engineering Research Lab.
Publisher 1991
Year Published 1991
Report Number EPA/600/D-91/152;
Stock Number PB91-223222
Additional Subjects Air pollution sampling ; Wood burning appliances ; Oil furnaces ; Combustion products ; Identification systems ; Molecular structure ; Stoves ; Chemical properties ; Space heating ; Comparison ; Residential buildings ; Particles ; Concentration(Composition) ; Combustion efficiency ; Soot ; Performance evaluation ; Organic compounds ; Emission inventories ; Integrated Air Cancer Project
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NTIS  PB91-223222 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 11/26/1991
Collation 13p

Full Record Document Number: 31
Main Title Computational approaches to the identification of suspect toxic molecules /
Author Politzer, Peter,
CORP Author New Orleans Univ., LA. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher U.S. Environmental Protection Agency, Office of Research and Development, Health Effects Research Laboratory,
Year Published 1988
Report Number EPA/600/J-88/337
Stock Number PB89-237465
Additional Subjects Halohydrocarbons ; Toxicity ; Epoxides ; Carcinogens ; Molecular structure ; Chemical analysis ; Electrostatics ; Enzyme inhibitors ; Computation ; Reprints ; Toxic substances ; Dioxins ; Dibenzo-p-dioxins
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NTIS  PB89-237465 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 01/01/1988
Collation 22 pages : illustrations ; 28 cm

Full Record Document Number: 32
Main Title Computational Studies of the 3-Dimensional Structure of Cyclopenta Polycyclic Aromatic Hydrocarbons Containing a Gulf Region.
Author Venegas, R. E. ; Reggio, P. H. ; Rabinowitz, J. R. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC. Carcinogenesis and Metabolism Branch. ;Kennesaw State Coll., Marietta, GA.
Publisher c1992
Year Published 1992
Report Number EPA/600/J-92/068;
Stock Number PB92-150820
Additional Subjects Molecular structure ; Polycyclic aromatic hydrocarbons ; Carcinogens ; Deoxyribonucleic acids ; Environmental pollutants ; Phenanthrenes ; Crystallography ; Reprints ;
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NTIS  PB92-150820 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 08/28/1992
Collation 22p

Full Record Document Number: 33
Main Title Computer Assisted Studies of Structure-Activity Relations Using Pattern Recognition.
Author Jurs, P. C. ;
CORP Author National Science Foundation, Washington, DC.;Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1983
Stock Number PB86-197829
Additional Subjects Pattern recognition ; Drugs ; Reprints ; Computer applications ; Structure activity relations ; Molecular structure ; Biological activity
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NTIS  PB86-197829 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/21/1988
Collation 13p

Full Record Document Number: 34
Main Title Computer Automated Structure Evaluation (CASE) of Flavonoids as Larval Growth Inhibitors.
Author Klopman, G. ; Venegas, R. E. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Research Triangle Park, NC.;Office of Naval Research, Arlington, VA.
Publisher c1988
Year Published 1988
Report Number EPA-R-812264; EPA/600/J-88/410;
Stock Number PB90-110107
Additional Subjects Growth regulators ; Inhibitors ; Larvae ; Molecular structure ; Reprints ; Computer automated structure evaluation(CASE) ; Heliothis zea ; Flavonoids ; Structure-activity relationship
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NTIS  PB90-110107 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 03/10/1990
Collation 8p

Full Record Document Number: 35
Main Title Computer Automated Structure Evaluation (CASE): A Study of Inhibitors of the Thermolysin Enzyme.
Author Klopman, G. ; Bendale, R. D. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Research Triangle Park, NC.;Office of Naval Research, Arlington, VA.
Publisher c1989
Year Published 1989
Report Number EPA-R-812264, N00014-84-K-0090; EPA/600/J-89/115;
Stock Number PB90-108416
Additional Subjects Enzyme inhibitors ; Molecular structure ; Tables(Data) ; Reprints ; Thermolysin ; Expert systems ; Structure-activity relationship ; Peptide fragments ; Computer automated structure evaluation(CASE)
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NTIS  PB90-108416 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 03/10/1990
Collation 13p

Full Record Document Number: 36
Main Title Computer simulation of chemical and biomolecular systems /
Other Authors
Author Title of a Work
Beveridge, David L.,
Jorgensen, William L.
Publisher New York Academy of Sciences,
Year Published 1986
OCLC Number 15055365
ISBN 0897663594; 9780897663595; 0897663608; 9780897663601
Subjects Molecular dynamics--Mathematical models--Congresses. ; Molecular structure--Mathematical models--Congresses. ; Molecular dynamics--Data processing--Congresses. ; Molecular structure--Data processing--Congresses. ; Biochemistry--methods. ; Computer Simulation. ; Models, Molecular. ; Molecular Biology--methods. ; Chemie.--(DE-588)4009816-3 ; Computersimulation.--(DE-588)4148259-1 ; Molekularbiologie.--(DE-588)4039983-7 ; Biochemie. ; KongreÇ. ; Molekulardynamik. ; Chemistry, Physical--congresses ; Models, Theoretical--congresses ; Molecular Conformation--congresses
Internet Access
Description Access URL
http://www3.interscience.wiley.com/journal/119493762/issue
http://www.blackwell-synergy.com/openurl?genre=journal&stitle=nyas
http://onlinelibrary.wiley.com/doi/10.1111/nyas.1986.482.issue-1/issuetoc
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EJEM  Q11.N5 v.482 1986 OCSPP Chemical Library/Washington,DC 09/30/1994
EKBM  Q11.N5 vol. 482 Research Triangle Park Library/RTP, NC 06/14/2016
Collation x, 307 pages : illustrations ; 24 cm.

Full Record Document Number: 37
Main Title Computer-Assisted Structure Activity Relationships of Nitrogenous Cyclic Compounds Tested in Salmonella Assays for Mutagenicity.
Author Walsh, D. B. ; Claxton, L. D. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC. ;Massachusetts Rehabilitation Commission, Boston.
Year Published 1987
Report Number EPA/600/J-87/087;
Stock Number PB88-125513
Additional Subjects Nitrogen heterocyclic compounds ; Mutagens ; Computer applications ; Molecular structure ; Salmonella typhimurium ; Bioassay ; Pattern recognition devices ; Reprints ; ADAPT system
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NTIS  PB88-125513 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/21/1988
Collation 12p

Full Record Document Number: 38
Main Title Computer-Assisted Studies of Molecular Structure and Genotoxic Activity by Pattern Recognition Techniques.
Author Stouch, T. R. ; Jurs, P. C. ;
CORP Author Pennsylvania State Univ., University Park.;Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1985
Report Number EPA-R-811037; EPA/600/J-85/384;
Stock Number PB86-199049
Additional Subjects Pattern recognition ; Molecular structure ; Reprints ; Genotoxicity ; Computer applications
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NTIS  PB86-199049 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/21/1988
Collation 17p

Full Record Document Number: 39
Main Title Computer-Assisted Studies of Molecular Structure-Biological Activity Relationships.
Author Jurs, P. C. ; Stouch, T. R. ; Czerwinski, M. ; Narvaez, J. N. ;
CORP Author Pennsylvania State Univ., University Park. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1985
Report Number EPA-R-811037; EPA/600/J-85/387;
Stock Number PB86-200920
Additional Subjects Molecular structure ; Relationships ; Reprints ; Biological activity ; Computer applications ; Structure activity relationship
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NTIS  PB86-200920 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/21/1988
Collation 14p

Full Record Document Number: 40
Main Title Computer-Automated Prediction of the Mutagenicity of Benzidine, 4,4(double prime)-Diaminoterphenyl, 4-Dimethylaminoazo-benzene and 4-Cyanodimethylaniline: Comparison with the Results of the Second UKEMS Collaborative Study.
Author Rosenkranz, H. S. ; Frierson, M. R. ; Klopman, G. ;
CORP Author Case Western Reserve Univ., Cleveland, OH.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher c1986
Year Published 1986
Report Number EPA-R-812264; EPA/600/J-86/511;
Stock Number PB90-106410
Additional Subjects Amines ; Molecular structure ; Prediction ; Salmonella typhimurium ; Reprints ; Mutagenicity tests ; Benzidines ; Dimethylaminobenzene ; 4-Cyanodimethyl aniline ; 4,4'-diaminoterphenyl ; Expert systems ; Computer automated structure evaluation(CASE)
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NTIS  PB90-106410 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 03/10/1990
Collation 10p

Full Record Document Number: 41
Main Title Concepts and applications of molecular similarity
Other Authors
Author Title of a Work
Johnson, Mark A.
Maggiora, Gerald M.
Publisher Wiley,
Year Published 1990
OCLC Number 20823889
ISBN 0471621757
Subjects Molecular structure--Congresses ; Similarity (Physics)--Congresses
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EMBM  QD461.C634 1990 GWERD Library/Ada,OK 07/26/1991
Collation xix, 393 p. : ill. ; 24 cm.

Full Record Document Number: 42
Main Title Contribution to the Interpretation of Mass Spectra with the Aid of Adaptive Linear Classifiers (Beitrag zur Interpretation von Massenspektren mit Hilfe Adaptiver, Linearer Klassifikatoren).
Author Varmuza, K. ; Krenmayr., P. ;
CORP Author Environmental Protection Agency, Research Triangle Park, N.C. Translation Services Section.
Year Published 1974
Report Number EPA-TR-492-74;
Stock Number PB-237 807-T
Additional Subjects Mass spectra ; Spectrum analysis ; Molecular structure ; Pattern recognition ; Linear programming ; Chemical anal sis ; West Germany ; Translations ;
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NTIS  PB-237 807-T Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/23/1988
Collation 24p

Full Record Document Number: 43
Main Title Correlation of Structure Versus Activity of Pollutants of Fresh Water.
Author Bon, Howard W. ; Fulle, George C. ;
CORP Author Rhode Island Univ., Kingston. Water Resources Center.
Year Published 1971
Report Number DI-14-01-0001-3040 ;DI-14-31-0001-3240; OWRR-A-028-RI; 03144,; A-028-RI(1)
Stock Number PB-205 606
Additional Subjects ( Molluscicides ; Toxicology) ; ( Water pollution ; Molluscicides) ; ( Sulfur organic compounds ; Toxicology) ; Snails ; Molecular structure ; Fresh water biology ; Thiols ; Sulfones ; Sulfonyl compounds ;
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NTIS  PB-205 606 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/23/1988
Collation 12p

Full Record Document Number: 44
Main Title Correlations between 31P n.m.r. Chemical Shifts and Structures of Some Organophosphorus Pesticides.
Author Ross, Ralph T. ; Biros., Francis J. ;
CORP Author Environmental Protection Agency, Perrine, Fla. Perrine Primate Lab.
Year Published 1970
Stock Number PB-275 504
Additional Subjects Pesticides ; Chemical analysis ; Phosphorus organic compounds ; Molecular structure ; Phosphorus isotopes ; Reprints ; Chemical shifts(Nuclear magnetic resonance) ; Phosphorus 31
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NTIS  PB-275 504 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/23/1988
Collation 3p

Full Record Document Number: 45
Main Title Cyclopenta-Fused Isomers of Benz(a)anthracene Identification of Major Microsomal Metabolites.
Author Sangaiah, R. ; Gold, A. ; Easterling, G. E. R. ; Watts, R. ; Bryant, B. J. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC. ;North Carolina Univ. at Chapel Hill. Dept. of Environmental Sciences and Engineering. ;Northrop Services, Inc., Research Triangle Park, NC.
Year Published 1984
Report Number EPA-600/D-84-179;
Stock Number PB84-212745
Additional Subjects Aromatic polycyclic hydrocarbons ; Metabolism ; Environmental surveys ; Chemical analysis ; Mutagens ; Liver ; Laboratory animals ; Nuclear magnetic resonance ; Toxicology ; Chemical reactions ; Molecular structure ; Proteins ; Biotransformation ; Metabolites ; Aroclor 1254 ; Benzacephenanthrylene ; Benzaceanthrylene ; Cyclopentapyrene ; Benzofluoranthenes ; High performance liquid chromatography
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NTIS  PB84-212745 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/23/1988
Collation 26p

Full Record Document Number: 46
Main Title Derivation and Significance of Valence Molecular Connectivity.
Author Kier, L. B. ; Hall, L. H. ;
CORP Author Virginia Commonwealth Univ., Richmond.;Environmental Research Lab.-Duluth, MN.
Year Published 1981
Report Number EPA-R-808923; EPA-600/J-81-655;
Stock Number PB84-116706
Additional Subjects Molecular structure ; Drugs ; Valence ; Electronegativity ; Reprints ; Molecular connectivity index ; Numerical solution
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NTIS  PB84-116706 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/23/1988
Collation 10p

Full Record Document Number: 47
Main Title Determination of biodegradability kinetics of RCRA compounds using respirometry for structure-activity relationships /
Author Tabak, Henry H. ; Desai, S. ; Govind, R.
Other Authors
Author Title of a Work
Desai, Sanjay.
Rakesh Govind.
CORP Author Environmental Protection Agency, Cincinnati, OH. Risk Reduction Engineering Lab. ;Cincinnati Univ., OH. Dept. of Chemical and Nuclear Engineering.
Publisher U.S. Environmental Protection Agency, Office of Research and Development, Risk Reduction Engineering Laboratory ; Reproduced by National Technical Information Service,
Year Published 1990
Report Number EPA/600/D-90/136
Stock Number PB90-263211
Subjects Hazardous wastes--Biodegradation.
Additional Subjects Biodeterioration ; Reaction kinetics ; Molecular structure ; Waste disposal ; Organic compounds ; Sewage treatment ; Biochemistry ; Sewage disposal ; Sludge disposal ; Chemical properties ; Experimental design ; Microorganisms ; Industrial wastes ; Reprints ; Superfund ; Toxic substances ; Respirometers ; Environmental fate ; Resource Conservation and Recovery Act ; Biological effects
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NTIS  PB90-263211 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 01/01/1988
Collation 21 pages ; 28 cm

Full Record Document Number: 48
Main Title Determination of rates of reaction in the gas-phase in the troposphere : theory and practice. 3. Rate of indirect photoreaction /
Author Leifer, Asa,
CORP Author Environmental Protection Agency, Washington, DC. Office of Toxic Substances.
Publisher U.S. Environmental Protection Agency, Office of Toxic Substances,
Year Published 1992
Report Number EPA/700/R-92/002
Stock Number PB92-150374
Subjects Tropospheric chemistry--Mathematical models. ; Hydroxyl group--Environmental effects. ; Air--Pollution--Mathematical models.
Additional Subjects Reaction kinetics ; Atmospheric chemistry ; Photochemical reactions ; Air pollution ; Hydroxyl radicals ; Molecular structure ; Chemical reactivity ; Troposphere ; Error analysis ; Oxidation ; Organic compounds ; Mathematical models ; Structure reactivity relationships ; Toxic Substances Control Act
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NTIS  PB92-150374 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 01/01/1988
Collation 238 pages ; 28 cm

Full Record Document Number: 49
Main Title Determination of rates of reaction in the gas-phase in the troposphere : theory and practice. 4. Rate of indirect photoreaction /
Author Leifer, Asa,
CORP Author Environmental Protection Agency, Washington, DC. Office of Toxic Substances.
Publisher U.S. Environmental Protection Agency, Office of Toxic Substances,
Year Published 1992
Report Number EPA/700/R-92/003
Stock Number PB92-150382
Subjects Tropospheric chemistry--Mathematical models. ; Hydroxyl group--Environmental effects. ; Air--Pollution--Mathematical models.
Additional Subjects Reaction kinetics ; Atmospheric chemistry ; Photochemical reactions ; Air pollution ; Hydroxyl radicals ; Molecular structure ; Chemical reactivity ; Troposphere ; Recommendations ; Oxidation ; Organic compounds ; Mathematical models ; Structure reactivity relationships ; Toxic Substances Control Act
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NTIS  PB92-150382 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 01/01/1988
Collation 79 pages ; 28 cm

Full Record Document Number: 50
Main Title Determination of rates of reaction in the gas-phase in the troposphere theory and practice /
Author Leifer, Asa
CORP Author Environmental Protection Agency, Washington, DC. Office of Toxic Substances.
Publisher U.S. Environmental Protection Agency, Office of Toxic Substances,
Year Published 1992
Report Number EPA 700-R-92-011
Stock Number PB92-150374
OCLC Number 27183468
Subjects Tropospheric chemistry--Mathematical models ; Hydroxyl group--Environmental effects ; Air--Pollution--Mathematical models
Additional Subjects Reaction kinetics ; Atmospheric chemistry ; Photochemical reactions ; Air pollution ; Hydroxyl radicals ; Molecular structure ; Chemical reactivity ; Troposphere ; Error analysis ; Oxidation ; Organic compounds ; Mathematical models ; Structure reactivity relationships ; Toxic Substances Control Act
Internet Access
Description Access URL
http://nepis.epa.gov/Exe/ZyPDF.cgi?Dockey=9100CGMQ.PDF
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EJED  EPA 700-R-92-011 OCSPP Chemical Library/Washington,DC 09/07/2012
NTIS  PB92-150374 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 01/01/1988
Collation xvi, 221 p. ; 28 cm.

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