Brief Records : EPA National Library Catalog

Items Found: 265

Showing Items: 101 - 125

Your Search: (SUBJECT=Molecular Structure.)

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OLS Field Name OLS Field Data
Full Record Document Number: 101
Main Title Modified Molecular Charge Similarity Indices for Choosing Molecular Analogues (Journal Version).
Author Richard, A. M. ; Rabinowitz, J. R. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC.
Publisher 1987
Year Published 1987
Report Number EPA/600/J-87/381;
Stock Number PB89-106843
Additional Subjects Molecular properties ; Structure-activity relationship ; Molecular structure ; Analogs ; Propane ; Methy ether ; Electron distribution ; Charge density ; Alkanes ; Ethers ; Sulfur organic compounds ; Reprints ; Molecular charge similarity index ; Dimethyl sulfide
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NTIS  PB89-106843 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 03/14/1989
Collation 18p

Full Record Document Number: 102
Main Title Molecular and Cytogenetic Analysis of Lung Tumor Cell Lines.
Author Hozier, J. ;
CORP Author Florida Inst. of Tech., Melbourne.;Health Effects Research Lab., Research Triangle Park, NC.
Publisher Mar 90
Year Published 1990
Report Number EPA-R-813944; EPA/600/1-90/004;
Stock Number PB90-183443
Additional Subjects Pulmonary neoplasms ; Cytology ; Lymphocytes ; Tables(Data) ; Cells ; Chromosomes ; Molecular structure ; Ribonucleic acids ; Deoxyribonucleic acids ; Genetic mapping ; DNA probes ; Nucleic acid hybridization ; Oncogenes ; Cultured tumor cells ; Karyotyping
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NTIS  PB90-183443 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/15/1990
Collation 53p

Full Record Document Number: 103
Main Title Molecular mechanics
Author Burkert, Ulrich ; Allinger, Norman L.
Publisher American Chemical Society,
Year Published 1982
OCLC Number 08590735
ISBN 0841205841
Additional Subjects Molecular structure
Internet Access
Description Access URL
Publisher description http://catdir.loc.gov/catdir/enhancements/fy0636/82011442-d.html
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EKDM  QD461.B974 1982 c. 1-2 NERL/ERD Library/Athens,GA 11/06/2012

Full Record Document Number: 104
Main Title Molecular modelling : principles and applications /
Author Leach, Andrew R.
Publisher Prentice Hall,
Year Published 2001
OCLC Number 45008511
ISBN 0582382106 (pbk.)
Subjects Molecular structure--Computer simulation ; Molecules--Models--Computer simulation ; Structure mol eculaire--Simulation par ordinateur ; Mol ecules--Mod eles--Simulation par ordinateur
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EKBM  QD480.L43 2001 Research Triangle Park Library/RTP, NC 06/06/2003
Edition 2nd ed.
Collation xxiv, 744 p., {16} p. of plates : ill. (some col.) ; 24 cm.

Full Record Document Number: 105
Main Title Molecular spectra and molecular structure
Author Herzberg, Gerhard
Publisher Hau-Hwa,
Year Published 1967
OCLC Number 20545767
Subjects Molecular spectra ; Molecular structure
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ELDM  QC451.H463 NHEERL/MED Library/Duluth,MN 08/02/2002
Edition Rev. ed.
Collation v. : ill. ; 21 cm.

Full Record Document Number: 106
Main Title Molecular spectra and molecular structure /
Author Herzberg, Gerhard,
Publisher Van Nostrand,
Year Published 1950
OCLC Number 00536441
ISBN 0442033869; 9780442033866; 0442033877; 9780442033873; 0442233949; 9780442233945
Subjects Molecular spectroscopy--Tables. ; Molecular structure--Tables. ; Physique nucléaire. ; Spectrum analysis. ; Spectroscopie molculaire. ; Structure molculaire. ; Spectrum Analysis--Tables.
Additional Subjects Molecules ; Spectrum analysis
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ELBM  QC451.H464 1950 v.1 AWBERC Library/Cincinnati,OH 06/03/2016
ELDM  QC451.H463 v3 1967 NHEERL/MED Library/Duluth,MN 01/01/1988
ELDM  QC451.H464 1968 ed NHEERL/MED Library/Duluth,MN 01/01/1988
Edition 2d ed.
Collation 4 volumes : diagrams ; 24 cm.

Full Record Document Number: 107
Main Title Molecular structure and conformation : recent advances
Author Csizmadia, I. G.
Publisher Elsevier Scientific Pub. Co. ;
Year Published 1982
OCLC Number 08411000
ISBN 0444420894 : fl 220.00 (est.)
Additional Subjects Molecular structure ; Chemistry, Physical organic
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ELBM  QD461.M628 1982 AWBERC Library/Cincinnati,OH 01/01/1988

Full Record Document Number: 108
Main Title Molecular Topology and Narcosis - A Quantitative Structure-Activity Relationship (QSAR) Study of Alcohols Using Complementary Information Content (CIC).
Author Basak, S. C. ; Magnuson, V. R. ;
CORP Author Minnesota Univ.-Duluth.;Environmental Research Lab.-Duluth, MN.
Year Published 1983
Report Number EPA-R-807566; EPA-600/J-83-072;
Stock Number PB84-110055
Additional Subjects Molecular structure ; Alcohols ; Drugs ; Topology ; Narcosis ; Reprints ; Toxic substances
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NTIS  PB84-110055 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 6p

Full Record Document Number: 109
Main Title Multinuclear NMR Spin Labeling Investigation of the Solution Structure of the Base Stacked Mn(+2) -AMP Complex.
Author Levy, George C. ; Dechter, James J. ;
CORP Author Florida State Univ., Tallahassee. Dept. of Chemistry.;Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1979
Report Number EPA-R-804916; EPA-600/J-80-379;
Stock Number PB82-155284
Additional Subjects Isotopic labeling ; Nuclear magnetic resonance ; Molecular structure ; Nitrogen organic compounds ; Reprints ; Adenine/ribofuranosyl ; Nitrogen 15 ; Carbon 13 ; Phosphorus 31
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NTIS  PB82-155284 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 8p

Full Record Document Number: 110
Main Title Mutagenicity of Cyclopenta-Fused Isomers of Benz(a)anthracene in Bacterial and Rodent Cells and Identification of the Major Rat Liver Microsomal Metabolites.
Author Nesnow, S. ; Leavitt, S. ; Easterling, R. ; Watts, R. ; Toney, S. H. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC.
Year Published 1984
Report Number EPA/600/J-84/260;
Stock Number PB85-193969
Additional Subjects Mutagens ; Bacteria ; Metabolism ; Bioassays ; Aromatic polycyclic hydrocarbons ; Environmental surveys ; Laboratory animals ; Rats ; Liver ; Toxicity ; Public health ; Exhaust emissions ; Chemical analysis ; Molecular structure ; Reprints ; Benzaceanthrylene ; Benzacephenanthrylene
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NTIS  PB85-193969 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: 111
Main Title Neighborhood Complexities and Symmetry of Chemical Graphs and Their Biological Applications.
Author Roy, A. B. ; Basak, S. C. ; Harriss, D. K. ; Magnuson, V. R. ;
CORP Author Minnesota Univ.-Duluth. Dept. of Chemistry.;Environmental Research Lab.-Duluth, MN.
Year Published 1984
Report Number EPA-R-807566; EPA-600/D-84-065;
Stock Number PB84-168426
Additional Subjects Molecular structure ; Graph theory ; Topology ; Toxicity ; Chemistry ; Structure activity correlations ; Biological processes ; Numerical solution
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NTIS  PB84-168426 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: 112
Main Title Numerical Index for Characterizing Data Set Separation.
Author Lafemina, D. H. ; 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-85/385;
Stock Number PB86-198892
Additional Subjects Chemistry ; Pattern recognition ; Organic compounds ; Indexes(ratios) ; Numerical analysis ; Molecular structure ; Chemical reactivity ; Reprints ; Data sets ; Computer applications
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NTIS  PB86-198892 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 6p

Full Record Document Number: 113
Main Title Optimal Characterization of Structure for Prediction of Properties.
Author Basak, S. C. ; Niemi, G. J. ; Veith, G. D. ;
CORP Author Environmental Research Lab.-Duluth, MN. ;Minnesota Univ.-Duluth. Natural Resources Research Inst.
Publisher c1990
Year Published 1990
Report Number EPA/600/J-90/344 ;CONTRIB-64;
Stock Number PB91-163584
Additional Subjects Molecular structure ; Hydrogen bonding ; Physicochemical properties ; Organic compounds ; Risk assessment ; Toxicology ; Parametric equations ; Statistical analysis ; Octanols ; Water ; Topology ; Tables(Data) ; Reprints ; Partition coefficients ; Structure activity relationships ; Hydrophobicity
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NTIS  PB91-163584 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 06/13/1991
Collation 22p

Full Record Document Number: 114
Main Title Organic Solvent Use Study.
Author Lee, B. B. ; Wilkins, G. E. ; Nichols, E. M. ;
CORP Author Radian Corp., Austin, TX.;Environmental Protection Agency, Washington, DC. Office of Toxic Substances.
Year Published 1979
Report Number EPA-68-03-2776; EPA/560/12-79/002;
Stock Number PB-301 342
Additional Subjects Organic solvents ; Toxicology ; Utilization ; Manufacturing ; Consumption ; Toxicity ; Exposure ; Ranking ; Molecular structure ; Comparison ; Public health ; Tables(Data) ; Inhalation ; Toxic substances ; Threshold limit values
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NTIS  PB-301 342 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 245p

Full Record Document Number: 115
Main Title PCBs (Polychlorinated Biphenyls): Structure-Activity Relationships.
Author Safe, S. ; Parkinson, A. ; Robertson, L. ; Sawyer, T. ; Bandiera, S. ;
CORP Author Environmental Research Lab.-Duluth, MN.
Year Published 1983
Report Number EPA-600/D-83-096;
Stock Number PB83-247486
Additional Subjects Chemical properties ; Toxicology ; Synthesis(Chemistry) ; Molecular structure ; Chlorine organic compounds ; Chemical analysis ; Samples ; Enzymes ; Laboratory animals ; Humans ; Metabolism ; Reprints ; Polychlorinated biphenyls ; Aroclor 1260
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NTIS  PB83-247486 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 25p

Full Record Document Number: 116
Main Title Pentachlorodibenzofurans: Synthesis, Capillary Gas Chromatography and Gas Chromatographic/Mass Spectrometric Characteristics.
Author Chittim, B. G. ; Madge, J. A. ; Safe, S. H. ;
CORP Author Wellington Labs., Guelph (Ontario). ;Texas A and M Univ., College Station. Dept. of Veterinary Physiology and Pharmacology.;Environmental Research Lab., Duluth, MN.
Publisher c1986
Year Published 1986
Report Number EPA-810995; EPA/600/J-86/538;
Stock Number PB90-265083
Additional Subjects Chlorine aromatic compounds ; Gas chromatography ; Mass spectroscopy ; Electron energy ; Furans ; Organic ions ; Molecular structure ; Reprints ; Chemical preparation
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NTIS  PB90-265083 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 12/03/1990
Collation 5p

Full Record Document Number: 117
Main Title Polychlorinated biphenyls : progress and problems /
Author Safe, S.
CORP Author Texas A and M Univ., College Station. ;Guelph Univ. (Ontario).;Environmental Research Lab.-Duluth, MN.
Publisher U.S. Environmental Protection Agency, Office of Research and Development, Environmental Research Laboratory,
Year Published 1985
Report Number EPA/600/D-89/236; EPA CR-810995
Stock Number PB90-181280
Subjects Air--Pollution.
Additional Subjects Hazardous materials ; Chemical reactions ; Chemical analysis ; Gas chromatography ; Physical properties ; Molecular structure ; Reprints ; Polychlorobiphenyl compounds ; Flame ionization
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NTIS  PB90-181280 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 13 pages ; 28 cm

Full Record Document Number: 118
Main Title Polychlorinated Biphenyls as Inducers of Hepatic Microsomal Enzymes: Structure-Activity Rules.
Author Parkinson, A. ; Robertson, L. ; Safe, Lorna ; Safe, S. ;
CORP Author Guelph Univ. (Ontario).;Environmental Research Lab.-Duluth, MN.
Year Published 1980
Report Number EPA-R-806928; EPA-600/J-80-419;
Stock Number PB83-243741
Additional Subjects Enzymes ; Ribosomes ; Molecular structure ; Laboratory animals ; In vivo analysis ; Bioassay ; Toxicity ; Public health ; Chlorine organic compounds ; Rats ; Dosage ; Liver ; Reprints ; Polychlorinated biphenyls ; Toxic substances ; Chemical shifts(Nuclear magnetic resonance)
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NTIS  PB83-243741 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 18p

Full Record Document Number: 119
Main Title Polychlorinated Dibenzo-p-Dioxins and Dibenzofurans: Correlation between In vivo Structure-Activity Relationships (SARs).
Author Safe, S. ; Mason, G. ; Keys, B. ; Farrell, K. ; Zmudzka, B. ;
CORP Author Texas A and M Univ., College Station.;Environmental Research Lab.-Duluth, MN.
Publisher c1986
Year Published 1986
Report Number EPA-810995; EPA/600/J-86/535;
Stock Number PB90-265117
Additional Subjects In vitro analysis ; In vivo analysis ; Biochemistry ; Public health ; Laboratory animals ; Toxicity ; Enzymes ; Pesticides ; Bioassay ; Proteins ; Molecular structure ; Reprints ; Polychlorinated dibenzodioxins ; Polychlorinated dibenzofurans ; Risk assessment ; Biological effects ; Dose-response relationships ; Toxic substances
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NTIS  PB90-265117 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 12/03/1990
Collation 8p

Full Record Document Number: 120
Main Title Polynuclear aromatic compounds : synthesis and purification /
Author Eisenbraun, E. J.
CORP Author Oklahoma State Univ., Stillwater. Dept. of Chemistry.;Environmental Sciences Research Lab., Research Triangle Park, NC.
Publisher U.S. Environmental Protection Agency, Environmental Sciences Research Laboratory,
Year Published 1980
Report Number EPA/600/2-80/204; EPA-R-805419
Stock Number PB81-125015
Subjects Radioactive pollution of the atmosphere. ; Aromatic compounds--Synthesis--Safety measures. ; Aromatic compounds--Purification--Safety measures.
Additional Subjects Aromatic polycyclic hydrocarbons ; Air pollution ; Synthesis(Chemistry) ; Purification ; Chemical reactions ; Molecular structure ; Nuclear magnetic resonance ; Laboratory equipment ; Industrial wastes ; Spectrochemical analysis ; Samples
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NTIS  PB81-125015 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 100 pages : illustrations ; 28 cm

Full Record Document Number: 121
Main Title Predicting Chemical Parameters with Prolog.
Author Karickhoff, S. W. ; Carreira, L. A. ; Vellino, A. N. ; Nute, D. E. ; McDaniel, V. K. ;
CORP Author Georgia Univ., Athens.;Environmental Research Lab., Athens, GA.
Year Published 1988
Report Number EPA-R-812806; EPA/600/D-88/089;
Stock Number PB88-211719
Additional Subjects Molecular structure ; Chemical reactivity ; SPARC program ; Sparc Performs Automated Reasoning in Chemistry ; Computer applications
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NTIS  PB88-211719 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 09/04/1988
Collation 18p

Full Record Document Number: 122
Main Title Predicting Chemical Reactivity by Computer.
Author Karickhoff, S. W. ; McDaniel, V. K. ; Melton, C. ; Vellino, A. N. ; Nute, D. E. ;
CORP Author Environmental Research Lab., Athens, GA. ;Georgia Univ., Athens.
Publisher c1991
Year Published 1991
Report Number EPA/600/J-91/293;
Stock Number PB92-124312
Additional Subjects Chemical reactions ; Computerized simulation ; Environmental effects ; Pollution ; Chemical compounds ; Molecular structure ; Physical properties ; Chemical properties ; Organic compounds ; Reaction kinetics ; Ecosystems ; Spectrum analysis ; Hydrolysis ; Thermodynamic properties ; Absorption spectra ; Ionization ; Reprints ; SPARC system
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NTIS  PB92-124312 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 02/24/1992
Collation 14p

Full Record Document Number: 123
Main Title Predicting Modes of Toxic Action from Chemical Structure: An Overview.
Author Bradbury, S. P. ;
CORP Author Environmental Research Lab.-Duluth, MN.
Publisher 1994
Year Published 1994
Report Number EPA/600/J-94/258;
Stock Number PB94-176195
Additional Subjects Toxicity ; Fishes ; Water pollution effects(Animals) ; Aquatic animals ; Dose-response relationships ; Marine biology ; Hazardous materials ; Exposure ; Chemical properties ; Biological effects ; Predictions ; Molecular structure ; Mutagens ; Carcinogens ; Reprints ; QSAR(Quantitative structure activity relationships)
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NTIS  PB94-176195 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 09/01/1994
Collation 18p

Full Record Document Number: 124
Main Title Prediction of Biodegradation Kinetics Using a Nonlinear Group Contribution Method.
Author Tabak, H. H. ; Govind, R. ;
CORP Author Environmental Protection Agency, Cincinnati, OH. Risk Reduction Engineering Lab. ;Cincinnati Univ., OH. Dept. of Chemical Engineering.
Publisher c1993
Year Published 1993
Report Number EPA/600/J-94/488;
Stock Number PB95-136917
Additional Subjects Reaction kinetics ; Molecular structure ; Biodegradation ; Predictions ; Neural nets ; Nonlinear systems ; Pollution regulations ; Organic compounds ; Reprints ; Structure-activity relationships ; SBRs(Structure-biodegradation relationships) ; Respirometry ; Group contribution method
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NTIS  PB95-136917 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 03/06/1995
Collation 12p

Full Record Document Number: 125
Main Title Prediction of Chemical Reactivity Parameters and Physical Properties of Organic Compounds from Molecular Structure Using Sparc.
Author Hilal, S. H. ; Karickhoff, S. W. ; Carreira, L. A. ;
CORP Author Georgia Univ., Athens. Dept. of Chemistry.;Environmental Protection Agency, Athens, GA. Ecosystems Research Div.
Publisher Mar 2003
Year Published 2003
Report Number EPA/600/R-03/030;
Stock Number PB2004-101167
Additional Subjects Pollutants ; Computer models ; Organic compounds ; Molecular structure ; Predictions ; Risk assessment ; Calibration ; Environmental exposure ; Occupational exposure ; Physical properties ; Chemical reactivity ; Ionization potential ; Verification ; Validation ; Esters ; Hydrolysis ; Sparc computer program ; Zwitterions
Internet Access
Description Access URL
http://nepis.epa.gov/Exe/ZyPDF.cgi?Dockey=P1000A8K.PDF
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NTIS  PB2004-101167 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 03/15/2004
Collation 160p

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