-
1
-
-
0027382661
-
Global fractionation and cold condensation of low volatility organochlorine compounds in polar regions
-
Wania, F.; Mackay, D. Global Fractionation and Cold Condensation of Low Volatility Organochlorine Compounds in Polar Regions. AMBIO 1993, 22, 10-18.
-
(1993)
AMBIO
, vol.22
, pp. 10-18
-
-
Wania, F.1
Mackay, D.2
-
2
-
-
33845553934
-
Effects of ambient temperature on aspects of airborne polycyclic aromatic hydrocarbons
-
Yamasaki, H.; Kuwata, K.; Miyamoto, H. Effects of Ambient Temperature on Aspects of Airborne Polycyclic Aromatic Hydrocarbons. Environ. Sci. Technol. 1982, 16, 189-194.
-
(1982)
Environ. Sci. Technol.
, vol.16
, pp. 189-194
-
-
Yamasaki, H.1
Kuwata, K.2
Miyamoto, H.3
-
3
-
-
0033267364
-
Thermodynamic properties of polycyclic aromatic hydrocarbons in the subcooled liquid state
-
Allen, J.O.; Sarofim, A.S.; Smith, K.A. Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Subcooled Liquid State. Polym. Atom. Compds. 1999, 13, 261-283.
-
(1999)
Polym. Atom. Compds.
, vol.13
, pp. 261-283
-
-
Allen, J.O.1
Sarofim, A.S.2
Smith, K.A.3
-
4
-
-
0021531583
-
Estimation of vapor pressures for nonpolar organic compounds by capillary gas chromatography
-
Bidleman, T.F. Estimation of Vapor Pressures for Nonpolar Organic Compounds by Capillary Gas Chromatography. Anal. Chem. 1984, 56, 2490-2496.
-
(1984)
Anal. Chem.
, vol.56
, pp. 2490-2496
-
-
Bidleman, T.F.1
-
5
-
-
0028372597
-
Vapor pressures and predicted particle/gas distributions of polychlorinated biphenyl congeners as functions of temperature and ortho-chlorine substitution
-
Falconer, R.L.; Bidleman, T.F. Vapor Pressures and Predicted Particle/Gas Distributions of Polychlorinated Biphenyl Congeners as Functions of Temperature and Ortho-Chlorine Substitution. Atm. Environ. 1994, 28, 547-554.
-
(1994)
Atm. Environ.
, vol.28
, pp. 547-554
-
-
Falconer, R.L.1
Bidleman, T.F.2
-
6
-
-
84953658112
-
Simultaneous treatment of vapor pressures and related thermal data between the triple and normal boiling temperatures for n-alkanes C5-C20
-
Ruzicka, K.; Majer, V. Simultaneous Treatment of Vapor Pressures and Related Thermal Data Between the Triple and Normal Boiling Temperatures for n-Alkanes C5-C20. J. Phys. Chem. Ref. Data 1994, 23, 1-39.
-
(1994)
J. Phys. Chem. Ref. Data
, vol.23
, pp. 1-39
-
-
Ruzicka, K.1
Majer, V.2
-
7
-
-
0035298684
-
Determination of vaporization enthalpies of polychlorinated biphenyls by correlation gas chromatography
-
Puri, S.; Chickos, J.S.; Welsh, W.J. Determination of Vaporization Enthalpies of Polychlorinated Biphenyls by Correlation Gas Chromatography. Anal. Chem. 2001, 73, 1480-1484.
-
(2001)
Anal. Chem.
, vol.73
, pp. 1480-1484
-
-
Puri, S.1
Chickos, J.S.2
Welsh, W.J.3
-
8
-
-
0001586279
-
Relationship between gas chromatographic retention indexes and computer-calculated physical properties of four compound classes
-
Ong, Y.S.; Hites, R.A. Relationship between Gas Chromatographic Retention Indexes and Computer-Calculated Physical Properties of Four Compound Classes. Anal. Chem. 1991, 63, 2829-2834.
-
(1991)
Anal. Chem.
, vol.63
, pp. 2829-2834
-
-
Ong, Y.S.1
Hites, R.A.2
-
9
-
-
0027054392
-
Computer-assisted prediction of gas chromatographic retention times of polychlorinated biphenyls by use of quantum chemical molecular properties
-
Makino, M.; Kamiya, M.; Matsushita, H. Computer-Assisted Prediction of Gas Chromatographic Retention Times of Polychlorinated Biphenyls by Use of Quantum Chemical Molecular Properties. Chemosphere 1992, 25, 1839-1849.
-
(1992)
Chemosphere
, vol.25
, pp. 1839-1849
-
-
Makino, M.1
Kamiya, M.2
Matsushita, H.3
-
10
-
-
0024017541
-
Computer-assisted prediction of gas chromatographic retention times of polychlorinated biphenyls
-
Hasan, M.N.; Jurs, P.C. Computer-Assisted Prediction of Gas Chromatographic Retention Times of Polychlorinated Biphenyls. Anal. Chem. 1988, 60, 978-982.
-
(1988)
Anal. Chem.
, vol.60
, pp. 978-982
-
-
Hasan, M.N.1
Jurs, P.C.2
-
11
-
-
0033200849
-
Novel classification to predict relative gas chromatographic retention times and n-octanol/water partition coefficients of polychlorinated biphenyts
-
Makino, M. Novel Classification to Predict Relative Gas Chromatographic Retention Times and n-Octanol/Water Partition Coefficients of Polychlorinated Biphenyts. Chemosphere 1999, 39, 893-903.
-
(1999)
Chemosphere
, vol.39
, pp. 893-903
-
-
Makino, M.1
-
12
-
-
0023751431
-
Comparative molecular field analysis (CoMFA). 1 - Effect of shape on binding of steroids to carrier proteins
-
Cramer, R.D., III; Patterson, D.E.; Bunce, J.D. Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5959-5967
-
-
Cramer R.D. III1
Patterson, D.E.2
Bunce, J.D.3
-
14
-
-
84986513563
-
Representation of the molecular electrostatic potential by a new atomic charge model
-
(a) Cox, S.R.; Williams, D.E. Representation of the Molecular Electrostatic Potential by a New Atomic Charge Model. J. Comput. Chem. 1981, 2, 304-323.
-
(1981)
J. Comput. Chem.
, vol.2
, pp. 304-323
-
-
Cox, S.R.1
Williams, D.E.2
-
15
-
-
84988098098
-
Atomic charges derived from electrostatic potentials: A detailed study
-
(b) Chirlian, L.E.; Francl, M.M. Atomic Charges Derived from Electrostatic Potentials: A Detailed Study. J. Comput. Chem. 1987, 8, 894-905.
-
(1987)
J. Comput. Chem.
, vol.8
, pp. 894-905
-
-
Chirlian, L.E.1
Francl, M.M.2
-
16
-
-
84986513567
-
Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
-
(c) Breneman, C.M.; Wiberg, K.B. Determining Atom-Centered Monopoles from Molecular Electrostatic Potentials. The Need for High Sampling Density in Formamide Conformational Analysis. J. Comput. Chem. 1990, 11, 361-373.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 361-373
-
-
Breneman, C.M.1
Wiberg, K.B.2
-
17
-
-
84986468608
-
An approach to computing electrostatic charges for molecules
-
(d) Singh, U.C.; Kollman, P.A. An Approach to Computing Electrostatic Charges for Molecules. J. Comput. Chem. 1984, 5, 129-145.
-
(1984)
J. Comput. Chem.
, vol.5
, pp. 129-145
-
-
Singh, U.C.1
Kollman, P.A.2
-
18
-
-
84986492477
-
Atomic charges derived from semiempirical methods
-
(e) Besler, B.H.; Merz, K.M.; Kollman, P.A. Atomic Charges Derived from Semiempirical Methods. J. Comput. Chem. 1990, 11, 431-439.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 431-439
-
-
Besler, B.H.1
Merz, K.M.2
Kollman, P.A.3
-
19
-
-
49149147973
-
Iterative partial equalization of orbital electronegativity-a rapid access to atomic charges
-
Gasteiger, J.; Marsili, M. Iterative Partial Equalization of Orbital Electronegativity-A Rapid Access to Atomic Charges. Tetrahedron 1980, 36, 3219-3288.
-
(1980)
Tetrahedron
, vol.36
, pp. 3219-3288
-
-
Gasteiger, J.1
Marsili, M.2
-
20
-
-
0037571112
-
Merck molecular force field. I. Basis, form, scope, parametrization, and performance of MMFF94
-
Halgren, T.A. Merck Molecular Force Field. I. Basis, Form, Scope, Parametrization, and Performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 490-519
-
-
Halgren, T.A.1
-
21
-
-
24444468650
-
Ground states of molecules. 38 - The MNDO methodol. approximations and parameters
-
(a) Dewar, M.J.S.; Thiel, W. Ground States of Molecules. 38. The MNDO Methodol. Approximations and Parameters. J. Am. Chem. Soc. 1977, 99, 4899-4907.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 4899-4907
-
-
Dewar, M.J.S.1
Thiel, W.2
-
22
-
-
33847087937
-
Ground states of molecules. 39 - MNDO results for molecules containing hydrogen, carbon, nitrogen and oxygen
-
(b) Dewar, M.J.S.; Thiel, W. Ground States of Molecules. 39. MNDO Results for Molecules Containing Hydrogen, Carbon, Nitrogen and Oxygen. J. Am. Chem. Soc. 1977, 99, 4907-4917.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 4907-4917
-
-
Dewar, M.J.S.1
Thiel, W.2
-
23
-
-
84988129057
-
Optimisation of parameters for semiempirical methods I. Methodol
-
(a) Stewart, J.J.P. Optimisation of Parameters for Semiempirical Methods I. Methodol. J. Comput. Chem. 1989, 10, 209-220.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 209-220
-
-
Stewart, J.J.P.1
-
24
-
-
84988073214
-
Optimisation of parameters for semiempirical methods II. Applications
-
(b) Stewart, J.J.P. Optimisation of Parameters for Semiempirical Methods II. Applications. J. Comput. Chem. 1989, 10, 221-264.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 221-264
-
-
Stewart, J.J.P.1
-
25
-
-
0842341771
-
AM1: A new general purpose quantum mechanical model
-
Dewar, M.J.S.; Zoebisch, E.G.; Healy, E.F.; Stewart, J.J.P. AM1: A New General Purpose Quantum Mechanical Model. J. Am. Chem. Soc. 1985, 107, 3902-3909.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902-3909
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
26
-
-
0001544060
-
Semiempirical molecular orbital estimation of the relative stability of polychlorinated biphenyl isomers produced by o-dichlorobenzene pyrolysis
-
Mulholland, J.A.; Sarofim, A.F.; Rutledge, G.C. Semiempirical Molecular Orbital Estimation of the Relative Stability of Polychlorinated Biphenyl Isomers produced by o-Dichlorobenzene Pyrolysis. J. Phys. Chem. 1993, 97, 6890-6896.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 6890-6896
-
-
Mulholland, J.A.1
Sarofim, A.F.2
Rutledge, G.C.3
-
27
-
-
0001877951
-
Soft modeling. The basic design and some extensions
-
Joreskog, K.G., Wold, H., Eds.; Elsevier Science Publishers: Amsterdam, Chapter 1
-
(a) Wold, H. Soft Modeling. The Basic Design and Some Extensions. In Systems Under Indirect Observation: Causality, Structure, Prediction; Joreskog, K.G., Wold, H., Eds.; Elsevier Science Publishers: Amsterdam, 1982; Vol. II, Chapter 1, p 1.
-
(1982)
Systems Under Indirect Observation: Causality, Structure, Prediction
, vol.2
, pp. 1
-
-
Wold, H.1
-
28
-
-
0002194587
-
Multivariate data analysis in chemistry
-
Kowalski, B., Ed.; Reidel: Dordrecht, Netherlands
-
(b) Wold, S.; Albano, C.; Dunn, W.J., III; Edlund, U.; Esbensen, K.; Geladi, P.; Hellberg, S.; Johansson, E.; Lindberg, W.; Sjosstrom, M. Multivariate Data Analysis in Chemistry. In Chemometrics: Mathematics and Statistics in Chemistry; Kowalski, B., Ed.; Reidel: Dordrecht, Netherlands, 1984; pp 17-95.
-
(1984)
Chemometrics: Mathematics and Statistics in Chemistry
, pp. 17-95
-
-
Wold, S.1
Albano, C.2
Dunn W.J. III3
Edlund, U.4
Esbensen, K.5
Geladi, P.6
Hellberg, S.7
Johansson, E.8
Lindberg, W.9
Sjosstrom, M.10
|