CALCULATED PHYSICAL-PROPERTIES OF POLYCHLORINATED DIBENZO-PARA-DIOXINS AND DIBENZOFURANS

被引:52
作者
KOESTER, CJ [1 ]
HITES, RA [1 ]
机构
[1] INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
关键词
D O I
10.1016/0045-6535(88)90146-4
中图分类号
X [环境科学、安全科学];
学科分类号
08 ; 0830 ;
摘要
引用
收藏
页码:2355 / 2362
页数:8
相关论文
共 13 条
[1]   GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4907-4917
[2]   GROUND-STATES OF MOLECULES .41. MNDO RESULTS FOR MOLECULES CONTAINING BORON [J].
DEWAR, MJS ;
MCKEE, ML .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (16) :5231-5241
[3]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[4]   GROUND-STATES OF MOLECULES .40. MNDO RESULTS FOR MOLECULES CONTAINING FLUORINE [J].
DEWAR, MJS ;
RZEPA, HS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (01) :58-67
[5]   MNDO PARAMETERS FOR 3RD PERIOD ELEMENTS [J].
DEWAR, MJS ;
MCKEE, ML ;
RZEPA, HS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (11) :3607-3607
[6]   CORRELATION OF STRUCTURE WITH RETENTION INDEX FOR CHLORINATED DIBENZO-P-DIOXINS [J].
DONNELLY, JR ;
MUNSLOW, WD ;
MITCHUM, RK ;
SOVOCOOL, GW .
JOURNAL OF CHROMATOGRAPHY, 1987, 392 :51-63
[7]   A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION [J].
FLETCHER, R ;
POWELL, MJD .
COMPUTER JOURNAL, 1963, 6 (02) :163-&
[8]   MNDO MOLECULAR-ORBITAL STUDY OF NITRENIUM IONS DERIVED FROM CARCINOGENIC AROMATIC-AMINES AND AMIDES [J].
FORD, GP ;
SCRIBNER, JD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (15) :4281-4291
[9]  
GROTEMEYER J, 1982, CURRENT TOPICS MASS
[10]   MATHEMATICAL-MODELING OF TEMPERATURE PROGRAMMED CAPILLARY GAS-CHROMATOGRAPHIC RETENTION INDEXES FOR POLYCHLORINATED DIBENZOFURANS [J].
HALE, MD ;
HILEMAN, FD ;
MAZER, T ;
SHELL, TL ;
NOBLE, RW ;
BROOKS, JJ .
ANALYTICAL CHEMISTRY, 1985, 57 (03) :640-648