-
1
-
-
0021784425
-
The structure of hexane soot. I. spectroscopic studies
-
Akhter M.S., Chughtal A.R., Smith D.M. The structure of hexane soot. I. spectroscopic studies. Appl. Spectr. 39:1985;143-153.
-
(1985)
Appl. Spectr.
, vol.39
, pp. 143-153
-
-
Akhter, M.S.1
Chughtal, A.R.2
Smith, D.M.3
-
2
-
-
0021850396
-
The structure of hexane soot. II. extraction studies
-
Akhter M.S., Chughtal A.R., Smith D.M. The structure of hexane soot. II. extraction studies. Appl. Spectr. 39:1985;143-153.
-
(1985)
Appl. Spectr.
, vol.39
, pp. 143-153
-
-
Akhter, M.S.1
Chughtal, A.R.2
Smith, D.M.3
-
3
-
-
3042988525
-
Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
-
Allinger N.L. Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms. J. Am. Chem. Soc. 99:1977;8127-8134.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 8127-8134
-
-
Allinger, N.L.1
-
4
-
-
0000189651
-
Density functional thermochemistry. 3. The role of exact exchange
-
Becke A.D. Density functional thermochemistry. 3. The role of exact exchange. J. Chem. Phys. 98:1993;5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
5
-
-
0028184462
-
An in situ ATR-FTIR study: The surface coordination of salicylic acid on aluminum and iron(III) oxides
-
Biber M.V., Stumm W. An in situ ATR-FTIR study: the surface coordination of salicylic acid on aluminum and iron(III) oxides. Environ. Sci. Tech. 28:1994;763-768.
-
(1994)
Environ. Sci. Tech.
, vol.28
, pp. 763-768
-
-
Biber, M.V.1
Stumm, W.2
-
6
-
-
1542468567
-
NMR techniques (C, N and H) in studies of humic substances
-
Washington, DC: American Chemical Society
-
Bortiatynski J.M., Hatcher P.G., Knicker H. NMR techniques (C, N and H) in studies of humic substances. Humic and Fulvic Acids. Isolation, Structure and Environmental Role. ACS Symp. Ser. 651:1996;57-77 American Chemical Society, Washington, DC.
-
(1996)
Humic and Fulvic Acids. Isolation, Structure and Environmental Role ACS Symp. Ser.
, vol.651
, pp. 57-77
-
-
Bortiatynski, J.M.1
Hatcher, P.G.2
Knicker, H.3
-
7
-
-
0024993320
-
The importance of spheroidal carbonaceous particles (SCPs) for the distribution of particulate polycyclic aromatic hydrocarbons (PAHs) in an estuarine-like urban coastal area
-
Broman D., Näf C., Wik M., Renberg I. The importance of spheroidal carbonaceous particles (SCPs) for the distribution of particulate polycyclic aromatic hydrocarbons (PAHs) in an estuarine-like urban coastal area. Chemosphere. 21:1990;69-77.
-
(1990)
Chemosphere
, vol.21
, pp. 69-77
-
-
Broman, D.1
Näf, C.2
Wik, M.3
Renberg, I.4
-
8
-
-
0028217605
-
Effects of polar and nonpolar groups on the solubility of organic compounds in soil and organic matter
-
Chiou C.T., Kile D.E. Effects of polar and nonpolar groups on the solubility of organic compounds in soil and organic matter. Environ. Sci. Technol. 28:1994;1139-1144.
-
(1994)
Environ. Sci. Technol.
, vol.28
, pp. 1139-1144
-
-
Chiou, C.T.1
Kile, D.E.2
-
9
-
-
0019998695
-
Adsorption of natural dissolved organic matter at the oxide/water interface
-
Davis J.A. Adsorption of natural dissolved organic matter at the oxide/water interface. Geochim. Cosmochim. Acta. 46:1982;2381-2393.
-
(1982)
Geochim. Cosmochim. Acta
, vol.46
, pp. 2381-2393
-
-
Davis, J.A.1
-
10
-
-
1542573141
-
Structural characterization of humic substances using thermochemolysis with tetramethylammonium hydroxide
-
J.S. Gaffney, N.A. Marley, & S.B. Clark. Humic and Fulvic Acids: Isolation, Structure and Environmental Role Washington, DC: American Chemical Society
-
Del Rio J.C., Hatcher P.G. Structural characterization of humic substances using thermochemolysis with tetramethylammonium hydroxide. Gaffney J.S., Marley N.A., Clark S.B. Humic and Fulvic Acids: Isolation, Structure and Environmental Role. ACS Symp. Ser. 651:1996;78-95 American Chemical Society, Washington, DC.
-
(1996)
ACS Symp. Ser.
, vol.651
, pp. 78-95
-
-
Del Rio, J.C.1
Hatcher, P.G.2
-
14
-
-
0004133516
-
-
Gaussian Inc., Pittsburgh, PA
-
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Gill, P.M.W., Johnson, B.G., Robb, M.A., Cheeseman, J.R., Keith, T., Petersson, G.A., Montgomery, J.A., Raghavachari, K., Al-Laham, M.A., Zakrzewski, V.G., Ortiz, J.V., Foresman, J.B., Cioslowski, J., Stefanov, B.B., Nanayakkara, A., Challacombe, M., Peng, C.Y., Ayala, P.Y., Chen, W., Wong, M.W., Andres, J.L., Replogle, E.S., Gomperts, R., Martin, R.L., Fox, D.J., Binkley, J.S., Defrees, D.J., Baker, J., Stewart, J.J.P., Head-Gordon, M., Gonzalez, C., Pople, J.A., 1995. Gaussian 94, Rev. C.3. Gaussian Inc., Pittsburgh, PA.
-
(1995)
Gaussian 94, Rev. C.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
15
-
-
1542573153
-
Humic and fulvic acids and organic colloidal materials in the environment
-
Washington, DC: American Chemical Society
-
Gaffney J.S., Marley N.A., Clark S.B. Humic and fulvic acids and organic colloidal materials in the environment. Humic and Fulvic Acids. Isolation, Structure and Environmental Role. ACS Symp. Ser. 651:1996;2-16 American Chemical Society, Washington, DC.
-
(1996)
Humic and Fulvic Acids. Isolation, Structure and Environmental Role ACS Symp. Ser.
, vol.651
, pp. 2-16
-
-
Gaffney, J.S.1
Marley, N.A.2
Clark, S.B.3
-
16
-
-
0344842620
-
-
Pittsburgh, PA: Gaussian Inc
-
Gaussian User's Manual. 1995;Gaussian Inc, Pittsburgh, PA.
-
(1995)
Gaussian User's Manual
-
-
-
17
-
-
0031021011
-
Quantification of the dilute sedimentary soot phase: Implications for PAH speciation and bioavailability
-
Gustafsson O., Haghseta F., Chan C., MacFarlane J., Gschwend P.M. Quantification of the dilute sedimentary soot phase: implications for PAH speciation and bioavailability. Environ. Sci. Tech. 31:1997;203-209.
-
(1997)
Environ. Sci. Tech.
, vol.31
, pp. 203-209
-
-
Gustafsson, O.1
Haghseta, F.2
Chan, C.3
MacFarlane, J.4
Gschwend, P.M.5
-
19
-
-
0022928912
-
Effect of organic acids on aluminum toxicity in subsoils
-
Hue N.V., Craddock G.R., Adams F. Effect of organic acids on aluminum toxicity in subsoils. Soil Sci. Soc. Am. J. 50:1986;28-34.
-
(1986)
Soil Sci. Soc. Am. J.
, vol.50
, pp. 28-34
-
-
Hue, N.V.1
Craddock, G.R.2
Adams, F.3
-
20
-
-
0344997943
-
-
Waterloo, Ont., Canada: Hypercube Inc
-
HyperChem Reference. 1994;Hypercube Inc, Waterloo, Ont., Canada.
-
(1994)
HyperChem Reference
-
-
-
21
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen W.L., Chandrasekhas J., Madura J.D., Impey R.W., Klein M.L. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 79:1983;926-935.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhas, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
22
-
-
0031986499
-
The binding of contaminants to humin: A mass balance
-
Kohl S.D., Rice J.A. The binding of contaminants to humin: a mass balance. Chemosphere. 36:1998;251-261.
-
(1998)
Chemosphere
, vol.36
, pp. 251-261
-
-
Kohl, S.D.1
Rice, J.A.2
-
23
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
Kohn W., Sham L.J. Self-consistent equations including exchange and correlation effects. Phys. Rev. 140:1965;A1133-A1138.
-
(1965)
Phys. Rev.
, vol.140
-
-
Kohn, W.1
Sham, L.J.2
-
25
-
-
0030620562
-
The bonding mechanisms of salicylic acid adsorbed onto illite clay: An ATR-FTIR and MO study
-
Kubicki J.D., Itoh M.J., Schroeter L.M., Apitz S.E. The bonding mechanisms of salicylic acid adsorbed onto illite clay: an ATR-FTIR and MO study. Environ. Sci. Tech. 31:1997;1151-1156.
-
(1997)
Environ. Sci. Tech.
, vol.31
, pp. 1151-1156
-
-
Kubicki, J.D.1
Itoh, M.J.2
Schroeter, L.M.3
Apitz, S.E.4
-
27
-
-
0032809117
-
Molecular models of benzene and selected PAHs in the gas, aqueous, and adsorbed states
-
in press
-
Kubicki, J.D., Blake, G.A., Apitz, S.E., 1999b. Molecular models of benzene and selected PAHs in the gas, aqueous, and adsorbed states. Env. Toxic. Chem., in press.
-
(1999)
Env. Toxic. Chem.
-
-
Kubicki, J.D.1
Blake, G.A.2
Apitz, S.E.3
-
29
-
-
0345491105
-
Development of the Colle-Salvetti correlation energy formula into a functional of the electron density
-
Lee C.T., Yang W.T., Parr R.G. Development of the Colle-Salvetti correlation energy formula into a functional of the electron density. Phys. Rev. B. 37:1988;785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
30
-
-
0002714935
-
Organic substance structures that facilitate contaminant transport and transformations in aquatic sediments
-
Baker R.A. Chelsea, MI: Lewis Publishers
-
Leenheer J.A. Organic substance structures that facilitate contaminant transport and transformations in aquatic sediments. Baker R.A. Organic Substances and Sediments in Water. Vol.1:1991;Lewis Publishers, Chelsea, MI.
-
(1991)
Organic Substances and Sediments in Water
, vol.1
-
-
Leenheer, J.A.1
-
31
-
-
0001760643
-
Chemistry of dissolved organic matter in rivers, lakes, and reservoirs
-
L.A. Baked. Environmental Chemistry of Lakes and Reservoirs Washington DC: American Chemical Society
-
Leenheer J.A. Chemistry of dissolved organic matter in rivers, lakes, and reservoirs. Baked L.A. Environmental Chemistry of Lakes and Reservoirs. Adv. Chem. Ser. 237:1994;195-221 American Chemical Society, Washington DC.
-
(1994)
Adv. Chem. Ser.
, vol.237
, pp. 195-221
-
-
Leenheer, J.A.1
-
32
-
-
0002327910
-
Implications of mixture characteristics on humic-substance chemistry
-
I.H. Suffet, & P. MacCarthy. Aquatic Humic Substances
-
Leenheer J.A., Brown P.A., Noyes T.I. Implications of mixture characteristics on humic-substance chemistry. Suffet I.H., MacCarthy P. Aquatic Humic Substances. Adv. Chem. Ser. 219:1989;25-39.
-
(1989)
Adv. Chem. Ser.
, vol.219
, pp. 25-39
-
-
Leenheer, J.A.1
Brown, P.A.2
Noyes, T.I.3
-
33
-
-
0003465675
-
Structural components and proposed structural models of fulvic acid from the Suwannee River
-
R.C. Averett, J.A. Leenheer, D.M. McKnight, & K.A. Thorn. Humic Substances in the Suwannee River, Georgia: Interactions, Properties and Proposed Structures USGS
-
Leenheer J.A., McKnight D.M., Thurman E.M., MacCarthy P. Structural components and proposed structural models of fulvic acid from the Suwannee River. Averett R.C., Leenheer J.A., McKnight D.M., Thorn K.A. Humic Substances in the Suwannee River, Georgia: Interactions, Properties and Proposed Structures. Water Supply Paper. 2373:1994;USGS.
-
(1994)
Water Supply Paper
, vol.2373
-
-
Leenheer, J.A.1
McKnight, D.M.2
Thurman, E.M.3
MacCarthy, P.4
-
34
-
-
0000266553
-
Bioavailability and toxicity of metals and hydrophobic organic contaminants
-
I.H. Suffet, & P. MacCarthy. Aquatic Humic Substances
-
McCarthy J.F. Bioavailability and toxicity of metals and hydrophobic organic contaminants. Suffet I.H., MacCarthy P. Aquatic Humic Substances. Adv. Chem. Ser. 219:1989;263-277.
-
(1989)
Adv. Chem. Ser.
, vol.219
, pp. 263-277
-
-
McCarthy, J.F.1
-
35
-
-
6944251055
-
Note on an approximation treatment for many-electron systems
-
Møller C., Plessett M.S. Note on an approximation treatment for many-electron systems. Phys. Rev. 46:1934;618.
-
(1934)
Phys. Rev.
, vol.46
, pp. 618
-
-
Møller, C.1
Plessett, M.S.2
-
36
-
-
0032861167
-
Deuterium NMR characterization of non-covalent interactions between monoaromatic compounds and fulvic acid
-
Nanny M.A. Deuterium NMR characterization of non-covalent interactions between monoaromatic compounds and fulvic acid. Org. Geochem. 30:1999;901-910.
-
(1999)
Org. Geochem.
, vol.30
, pp. 901-910
-
-
Nanny, M.A.1
-
37
-
-
0345705657
-
13C solid-state NMR study of hazardous organic compounds sorbed on coal fly ash
-
M.A. Nanny, R.A. Minear, & J.A. Leenheer. Oxford University Press
-
13C solid-state NMR study of hazardous organic compounds sorbed on coal fly ash. Nanny M.A., Minear R.A., Leenheer J.A. Nuclear Magentic Resonance Spectroscopy in Environmental Chemistry. 1997;91-122 Oxford University Press.
-
(1997)
Nuclear Magentic Resonance Spectroscopy in Environmental Chemistry
, pp. 91-122
-
-
Netzel, D.A.1
Miknis, F.P.2
Lane, D.C.3
Rovani, J.F.4
Cox, J.D.5
Clark, J.A.6
-
38
-
-
0000544675
-
Hydrogen bonding in solids
-
J.D. Dunitz, P. Hemmerich, R.H. Holm, J.A. Ibers, C.K. Jorgensen, J.B. Neilands, D. Reinene, & R.J.P. Williams. New York: Springer
-
Novak A. Hydrogen bonding in solids. Dunitz J.D., Hemmerich P., Holm R.H., Ibers J.A., Jorgensen C.K., Neilands J.B., Reinene D., Williams R.J.P. Structure and Bonding 18: Large Molecules. 1974;177-216 Springer, New York.
-
(1974)
Structure and Bonding 18: Large Molecules
, pp. 177-216
-
-
Novak, A.1
-
41
-
-
0001805092
-
Effects of humic substances on metal speciation
-
I.H. Suffet, & P. MacCarthy. Aquatic Humic Substances
-
Perdue E.M. Effects of humic substances on metal speciation. Suffet I.H., MacCarthy P. Aquatic Humic Substances. Adv. Chem. Ser. 219:1989;281.
-
(1989)
Adv. Chem. Ser.
, vol.219
, pp. 281
-
-
Perdue, E.M.1
-
42
-
-
0027097702
-
The analysis of soil organic matter by pyrolysis-field ionization mass spectrometry
-
Schnitzer M., Schulten H.-R. The analysis of soil organic matter by pyrolysis-field ionization mass spectrometry. Soil Sci. Soc. Am. J. 56:1992;1811-1817.
-
(1992)
Soil Sci. Soc. Am. J.
, vol.56
, pp. 1811-1817
-
-
Schnitzer, M.1
Schulten, H.-R.2
-
43
-
-
0345258950
-
Three-dimensional models for humic acids and soil organic matter
-
Schulten H.-R., Schnitzer M. Three-dimensional models for humic acids and soil organic matter. Naturwissenschaften. 80:1995;29-30.
-
(1995)
Naturwissenschaften
, vol.80
, pp. 29-30
-
-
Schulten, H.-R.1
Schnitzer, M.2
-
44
-
-
0030616408
-
Chemical model structures for soil organic matter and soils
-
Schulten H.-R., Schnitzer M. Chemical model structures for soil organic matter and soils. Soil Science. 162:1997;115-130.
-
(1997)
Soil Science
, vol.162
, pp. 115-130
-
-
Schulten, H.-R.1
Schnitzer, M.2
-
45
-
-
0032811260
-
Interactions of dissolved organic matter with xenobiotic compounds: molecular modeling in water
-
in press
-
Schulten, H.-R., Schnitzer, M., 1999. Interactions of dissolved organic matter with xenobiotic compounds: molecular modeling in water. Env. Tox. Chem., in press.
-
(1999)
Env. Tox. Chem.
-
-
Schulten, H.-R.1
Schnitzer, M.2
-
48
-
-
84988129057
-
Optimization of parameters for semiempirical methods. 1. Method
-
Stewart J.J.P. Optimization of parameters for semiempirical methods. 1. Method. J. Comp. Chem. 10:1989;209-220.
-
(1989)
J. Comp. Chem.
, vol.10
, pp. 209-220
-
-
Stewart, J.J.P.1
-
49
-
-
0000611176
-
Effect of boron on graphite oxidation - A theoretical study
-
Wang Q., Ma X.-L., Chen L.-Q., Cermignani W., Pantano C.G. Effect of boron on graphite oxidation - a theoretical study. Carbon. 35:1997;307-313.
-
(1997)
Carbon
, vol.35
, pp. 307-313
-
-
Wang, Q.1
Ma, X.-L.2
Chen, L.-Q.3
Cermignani, W.4
Pantano, C.G.5
-
50
-
-
0022757782
-
Sorption kinetics of hydrophobic organic compounds to natural sediments and soils
-
Wu S., Gschwend P.M. Sorption kinetics of hydrophobic organic compounds to natural sediments and soils. Env. Sci. Technol. 20:1986;717-725.
-
(1986)
Env. Sci. Technol.
, vol.20
, pp. 717-725
-
-
Wu, S.1
Gschwend, P.M.2
|