-
1
-
-
84961985847
-
Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model
-
Barone V., Cossi M. Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model. J. Phys. Chem. A 1998, 102:1995-2001.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1995-2001
-
-
Barone, V.1
Cossi, M.2
-
2
-
-
84962428785
-
Geometry optimization of molecular structures in solution by the polarizable continuum model
-
Barone V., Cossi M., Tomasi J. Geometry optimization of molecular structures in solution by the polarizable continuum model. J. Compos. Chem. 1998, 19:404-417.
-
(1998)
J. Compos. Chem.
, vol.19
, pp. 404-417
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
3
-
-
37249026247
-
Atmospheric reaction of OH radicals with 1, 3-Butadiene and 4-Hydroxy-2-butenal
-
Berndt T., Böge O. Atmospheric reaction of OH radicals with 1, 3-Butadiene and 4-Hydroxy-2-butenal. J. Phys. Chem. A 2007, 111:12099-12105.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 12099-12105
-
-
Berndt, T.1
Böge, O.2
-
4
-
-
0041968813
-
Hydroxycarbonyl products of the reactions of selected diols with the OH radical
-
Bethel H.L., Atkinson R., Arey J. Hydroxycarbonyl products of the reactions of selected diols with the OH radical. J. Phys. Chem. A 2003, 107:6200-6205.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 6200-6205
-
-
Bethel, H.L.1
Atkinson, R.2
Arey, J.3
-
5
-
-
85041138775
-
A technology-based global inventory of black and organic carbon emissions from combustion
-
Bond T.C., Streets D.G., Yarber K.F., Nelson S.M., Woo J.H., Klimont Z. A technology-based global inventory of black and organic carbon emissions from combustion. J. Geophys. Res. 2004, 109:D14203.
-
(2004)
J. Geophys. Res.
, vol.109
-
-
Bond, T.C.1
Streets, D.G.2
Yarber, K.F.3
Nelson, S.M.4
Woo, J.H.5
Klimont, Z.6
-
6
-
-
0842324621
-
Identification and estimate of biomass burning contribution to the urban aerosol organic carbon concentrations in Beijing
-
Duan F.K., Liu X.D., Yu T., Cachier H. Identification and estimate of biomass burning contribution to the urban aerosol organic carbon concentrations in Beijing. Atmos. Environ. 2004, 38:1275-1282.
-
(2004)
Atmos. Environ.
, vol.38
, pp. 1275-1282
-
-
Duan, F.K.1
Liu, X.D.2
Yu, T.3
Cachier, H.4
-
7
-
-
0034332534
-
Using levoglucosan as a molecular marker for the long-range transport of biomass combustion aerosols
-
Fraser M.P., Lakshmanan K. Using levoglucosan as a molecular marker for the long-range transport of biomass combustion aerosols. Environ. Sci. Technol. 2000, 34:4560-4564.
-
(2000)
Environ. Sci. Technol.
, vol.34
, pp. 4560-4564
-
-
Fraser, M.P.1
Lakshmanan, K.2
-
8
-
-
84886409595
-
-
GAUSSIAN 03, Pittsburgh, PA.
-
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Gill, P.W.M., Johnson, B.G., Robb, M.A., Cheeseman, J.R., Keith, T.A., Petersson, G.A., Montgomery, J.A, et al., 2003. GAUSSIAN 03, Pittsburgh, PA.
-
(2003)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.W.M.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petersson, G.A.9
Montgomery, J.A.10
-
9
-
-
33751044609
-
The path of chemical reactions-the IRC approach
-
Fukui K. The path of chemical reactions-the IRC approach. Acc. Chem. Res. 1981, 14:363-368.
-
(1981)
Acc. Chem. Res.
, vol.14
, pp. 363-368
-
-
Fukui, K.1
-
10
-
-
33749262451
-
Impact of wood combustion on particle levels in a residential area in Denmark
-
Glasius M., Ketzel M., Wåhlin P., Jensen B., Mønster J., Berkowicz R., Palmgren F. Impact of wood combustion on particle levels in a residential area in Denmark. Atmos. Environ. 2006, 40:7115-7124.
-
(2006)
Atmos. Environ.
, vol.40
, pp. 7115-7124
-
-
Glasius, M.1
Ketzel, M.2
Wåhlin, P.3
Jensen, B.4
Mønster, J.5
Berkowicz, R.6
Palmgren, F.7
-
11
-
-
79960990298
-
Chemical and physical transformations of organic aerosol from the photo-oxidation of open biomass burning emissions in an environmental chamber
-
Hennigan C.J., Miracolo M.A., Engelhart G.J., May A.A., Presto A.A., Lee T., Sullivan A.P., McMeeking G.R., Coe H., Wold C.E., Hao W.-M., Gilman J.B., Kuster W.C., de Gouw J., Schichtel B.A., Collett J.L., Kreidenweis S.M., Robinson A.L. Chemical and physical transformations of organic aerosol from the photo-oxidation of open biomass burning emissions in an environmental chamber. Atmos. Chem. Phys. Discuss. 2011, 11:11995-12037.
-
(2011)
Atmos. Chem. Phys. Discuss.
, vol.11
, pp. 11995-12037
-
-
Hennigan, C.J.1
Miracolo, M.A.2
Engelhart, G.J.3
May, A.A.4
Presto, A.A.5
Lee, T.6
Sullivan, A.P.7
McMeeking, G.R.8
Coe, H.9
Wold, C.E.10
Hao, W.-M.11
Gilman, J.B.12
Kuster, W.C.13
de Gouw, J.14
Schichtel, B.A.15
Collett, J.L.16
Kreidenweis, S.M.17
Robinson, A.L.18
-
13
-
-
74949107789
-
Atmospheric stability of levoglucosan: a detailed laboratory and modeling study
-
Hoffmann D., Tilgner A., Iinuma Y., Herrmann H. Atmospheric stability of levoglucosan: a detailed laboratory and modeling study. Environ. Sci. Technol. 2010, 44:694-699.
-
(2010)
Environ. Sci. Technol.
, vol.44
, pp. 694-699
-
-
Hoffmann, D.1
Tilgner, A.2
Iinuma, Y.3
Herrmann, H.4
-
14
-
-
33747513232
-
Water-soluble oligomer formation from acid-catalyzed reactions of levoglucosan in proxies of atmospheric aqueous aerosols
-
Holmes B.J., Petrucci G.A. Water-soluble oligomer formation from acid-catalyzed reactions of levoglucosan in proxies of atmospheric aqueous aerosols. Environ. Sci. Technol. 2006, 40:4983-4989.
-
(2006)
Environ. Sci. Technol.
, vol.40
, pp. 4983-4989
-
-
Holmes, B.J.1
Petrucci, G.A.2
-
15
-
-
35448961233
-
Oligomerization of levoglucosan by Fenton chemistry in proxies of biomass burning aerosols
-
Holmes B.J., Petrucci G.A. Oligomerization of levoglucosan by Fenton chemistry in proxies of biomass burning aerosols. J. Atmos. Chem. 2007, 58:151-166.
-
(2007)
J. Atmos. Chem.
, vol.58
, pp. 151-166
-
-
Holmes, B.J.1
Petrucci, G.A.2
-
17
-
-
80052811804
-
A theoretical study on the mechanism of levoglucosan formation in cellulose pyrolysis
-
Huang J.B., Liu C., Wei S.A., Huang X.L., Li H.J. A theoretical study on the mechanism of levoglucosan formation in cellulose pyrolysis. J. Fuel. Chem. Tech. 2011, 39:590-594.
-
(2011)
J. Fuel. Chem. Tech.
, vol.39
, pp. 590-594
-
-
Huang, J.B.1
Liu, C.2
Wei, S.A.3
Huang, X.L.4
Li, H.J.5
-
18
-
-
33745977461
-
Levoglucosan as an atmospheric tracer for woodsmoke
-
Jordan T.B., Seen A.J., Jacobsen G.E. Levoglucosan as an atmospheric tracer for woodsmoke. Atmos. Environ. 2006, 40:5316-5321.
-
(2006)
Atmos. Environ.
, vol.40
, pp. 5316-5321
-
-
Jordan, T.B.1
Seen, A.J.2
Jacobsen, G.E.3
-
19
-
-
77956511588
-
Chemical sinks of organic aerosol: kinetics and products of the heterogeneous oxidation of erythritol and levoglucosan
-
Kessler S.H., Smith J.D., Che D.L., Worsnop D.R., Wilson K.R., Kroll J.H. Chemical sinks of organic aerosol: kinetics and products of the heterogeneous oxidation of erythritol and levoglucosan. Environ. Sci. Technol. 2010, 44:7005-7010.
-
(2010)
Environ. Sci. Technol.
, vol.44
, pp. 7005-7010
-
-
Kessler, S.H.1
Smith, J.D.2
Che, D.L.3
Worsnop, D.R.4
Wilson, K.R.5
Kroll, J.H.6
-
20
-
-
77955282613
-
Seasonal variation of levoglucosan in aerosols over the western North Pacific and its assessment as a biomass-burning tracer
-
Mochida M., Kawamura K., Fu P.Q., Takemura T. Seasonal variation of levoglucosan in aerosols over the western North Pacific and its assessment as a biomass-burning tracer. Atmos. Environ. 2010, 44:3511-3518.
-
(2010)
Atmos. Environ.
, vol.44
, pp. 3511-3518
-
-
Mochida, M.1
Kawamura, K.2
Fu, P.Q.3
Takemura, T.4
-
21
-
-
1342312140
-
Spatial distributions of oxygenated organic compounds (dicarboxylic acids, fatty acids, and levoglucosan) in marine aerosols over the western Pacific and off the coast of East Asia: continental outflow of organic aerosols during the ACE-Asia campaign
-
Mochida M., Kawamura K., Umemoto N., Kobayashi M., Matsunaga S., Lim H.-J., Turpin B.J., Bates T.S., Simoneit B.R.T. Spatial distributions of oxygenated organic compounds (dicarboxylic acids, fatty acids, and levoglucosan) in marine aerosols over the western Pacific and off the coast of East Asia: continental outflow of organic aerosols during the ACE-Asia campaign. J. Geophys. Res. 2003, 108:D23.
-
(2003)
J. Geophys. Res.
, vol.108
-
-
Mochida, M.1
Kawamura, K.2
Umemoto, N.3
Kobayashi, M.4
Matsunaga, S.5
Lim, H.-J.6
Turpin, B.J.7
Bates, T.S.8
Simoneit, B.R.T.9
-
22
-
-
66249112840
-
Mechanistic and kinetic studies on the homogeneous gas-phase formation of PCDD/Fs from 2,4,5-trichlorophenol
-
Qu X.H., Wang H., Zhang Q.Z., Shi X.Y., Xu F., Wang W.X. Mechanistic and kinetic studies on the homogeneous gas-phase formation of PCDD/Fs from 2,4,5-trichlorophenol. Environ. Sci. Technol. 2009, 43:4068-4075.
-
(2009)
Environ. Sci. Technol.
, vol.43
, pp. 4068-4075
-
-
Qu, X.H.1
Wang, H.2
Zhang, Q.Z.3
Shi, X.Y.4
Xu, F.5
Wang, W.X.6
-
23
-
-
0036179013
-
Biomass burnings A review of organic tracers for smoke from incomplete combustion
-
Simoneit B.R.T. Biomass burnings A review of organic tracers for smoke from incomplete combustion. Appl. Geochem. 2002, 17:129-162.
-
(2002)
Appl. Geochem.
, vol.17
, pp. 129-162
-
-
Simoneit, B.R.T.1
-
24
-
-
0032889915
-
Levoglucosan, a tracer for cellulose in biomass burning and atmospheric particles
-
Simoneit, B.R.T., Schauer, J.J., Nolte, C.G., Oros, D.R., Elias, V.O., Fraser, M.P., Rogge, W.F., Cass, G.R., 1999. Levoglucosan, a tracer for cellulose in biomass burning and atmospheric particles. Atmos. Environ., 33, 173-182.
-
(1999)
Atmos. Environ.
, vol.33
, pp. 173-182
-
-
Simoneit, B.R.T.1
Schauer, J.J.2
Nolte, C.G.3
Oros, D.R.4
Elias, V.O.5
Fraser, M.P.6
Rogge, W.F.7
Cass, G.R.8
-
25
-
-
33846616294
-
Arctic smoke e record high air pollution levels in the European Arctic due to agricultural fires in Eastern Europe in spring 2006
-
Stohl A., Berg T., Burkhart J.F., Fjæraa A.M., Forster C., Herber A., Hov Ø., Lunder C., McMillan W.W., Oltmans S., Shiobara M., Simpson D., Solberg S., Stebel K., Ström J., Tørseth K., Treffeisen R., Virkkunen K., Yttri K.E. Arctic smoke e record high air pollution levels in the European Arctic due to agricultural fires in Eastern Europe in spring 2006. Atmos. Chem. Phys. 2007, 7:511-534.
-
(2007)
Atmos. Chem. Phys.
, vol.7
, pp. 511-534
-
-
Stohl, A.1
Berg, T.2
Burkhart, J.F.3
Fjæraa, A.M.4
Forster, C.5
Herber, A.6
Hov, Ø.7
Lunder, C.8
McMillan, W.W.9
Oltmans, S.10
Shiobara, M.11
Simpson, D.12
Solberg, S.13
Stebel, K.14
Ström, J.15
Tørseth, K.16
Treffeisen, R.17
Virkkunen, K.18
Yttri, K.E.19
-
27
-
-
52049104184
-
5CN reaction
-
5CN reaction. Chem. Phys. Lett. 2008, 463:315-321.
-
(2008)
Chem. Phys. Lett.
, vol.463
, pp. 315-321
-
-
Sun, J.1
Tang, Y.Z.2
Sun, H.3
Pan, Y.R.4
Jia, X.J.5
Pan, X.M.6
Wang, R.S.7
-
29
-
-
33645790540
-
Secondary organic aerosol formation by heterogeneous reactions of aldehydes and ketones: a quantum mechanical study
-
Tong C., Blanco M., Goddard W.A., Seinfeld J.H. Secondary organic aerosol formation by heterogeneous reactions of aldehydes and ketones: a quantum mechanical study. Environ. Sci. Technol. 2006, 40:2323-2338.
-
(2006)
Environ. Sci. Technol.
, vol.40
, pp. 2323-2338
-
-
Tong, C.1
Blanco, M.2
Goddard, W.A.3
Seinfeld, J.H.4
-
30
-
-
77956159545
-
Dioxin formations from the radical/radical cross-condensation of phenoxy radicals with 2-Chlorophenoxy radicals and 2,4,6-Trichlorophenoxy Radicals
-
Xu F., Yu W.N., Gao R., Zhou Q., Zhang Q.Z., Wang W.X. Dioxin formations from the radical/radical cross-condensation of phenoxy radicals with 2-Chlorophenoxy radicals and 2,4,6-Trichlorophenoxy Radicals. Environ. Sci. Technol. 2010, 44:6745-6751.
-
(2010)
Environ. Sci. Technol.
, vol.44
, pp. 6745-6751
-
-
Xu, F.1
Yu, W.N.2
Gao, R.3
Zhou, Q.4
Zhang, Q.Z.5
Wang, W.X.6
-
31
-
-
78651410156
-
Mechanism and direct kinetic study of the polychlorinated dibenzo-p-dioxin and dibenzofuran formations from the radical/radical cross-condensation of 2,4-Dichlorophenoxy with 2-Chlorophenoxy and 2,4,6-Trichlorophenoxy
-
Xu F., Yu W.N., Zhou Q., Gao R., Sun X.Y., Zhang Q.Z., Wang W.X. Mechanism and direct kinetic study of the polychlorinated dibenzo-p-dioxin and dibenzofuran formations from the radical/radical cross-condensation of 2,4-Dichlorophenoxy with 2-Chlorophenoxy and 2,4,6-Trichlorophenoxy. Environ. Sci. Technol. 2011, 45:643-650.
-
(2011)
Environ. Sci. Technol.
, vol.45
, pp. 643-650
-
-
Xu, F.1
Yu, W.N.2
Zhou, Q.3
Gao, R.4
Sun, X.Y.5
Zhang, Q.Z.6
Wang, W.X.7
-
32
-
-
77249110414
-
Kinetic properties for the complete series reactions of chlorophenols with OH radicals-relevance for dioxin formation
-
Xu F., Zhang Q.Z., Zhang R.X., Qu X., Wang W.X. Kinetic properties for the complete series reactions of chlorophenols with OH radicals-relevance for dioxin formation. Environ. Sci. Technol. 2010, 44:1399-1406.
-
(2010)
Environ. Sci. Technol.
, vol.44
, pp. 1399-1406
-
-
Xu, F.1
Zhang, Q.Z.2
Zhang, R.X.3
Qu, X.4
Wang, W.X.5
-
33
-
-
84978018333
-
Photooxidation of levoglucosan in atmospheric aqueous aerosols
-
Yang L.M., Nguyen D.M., Yu L.E. Photooxidation of levoglucosan in atmospheric aqueous aerosols. Geochim. Cosmochim. Acta 2009, 73:A1477.
-
(2009)
Geochim. Cosmochim. Acta
, vol.73
-
-
Yang, L.M.1
Nguyen, D.M.2
Yu, L.E.3
-
34
-
-
79952175781
-
Mechanism and direct kinetics study on the homogeneous gas-phase formation of PBDD/Fs from 2-BP, 2,4-DBP, and 2,4,6-TBP as precursors
-
Yu W.N., Hu J.T., Xu F., Sun X.Y., Gao R., Zhang Q.Z., Wang W.X. Mechanism and direct kinetics study on the homogeneous gas-phase formation of PBDD/Fs from 2-BP, 2,4-DBP, and 2,4,6-TBP as precursors. Environ. Sci. Technol. 2011, 45:1917-1925.
-
(2011)
Environ. Sci. Technol.
, vol.45
, pp. 1917-1925
-
-
Yu, W.N.1
Hu, J.T.2
Xu, F.3
Sun, X.Y.4
Gao, R.5
Zhang, Q.Z.6
Wang, W.X.7
-
35
-
-
79959884631
-
Particle size distribution and polycyclic aromatic hydrocarbons emissions from agricultural crop residue burning
-
Zhang H.F., Hu D.W., Chen J.M., Ye X.N., Wang S.X., Hao J.M., Wang L., Zhang R.Y., An Z.S. Particle size distribution and polycyclic aromatic hydrocarbons emissions from agricultural crop residue burning. Environ. Sci. Technol. 2011, 45:5477-5482.
-
(2011)
Environ. Sci. Technol.
, vol.45
, pp. 5477-5482
-
-
Zhang, H.F.1
Hu, D.W.2
Chen, J.M.3
Ye, X.N.4
Wang, S.X.5
Hao, J.M.6
Wang, L.7
Zhang, R.Y.8
An, Z.S.9
-
36
-
-
54749152860
-
A quantum mechanical study on the formation of PCDD/Fs from 2-chlorophenol as precursor
-
Zhang Q.Z., Li S.Q., Qu X.H., Shi X.Y., Wang W.X. A quantum mechanical study on the formation of PCDD/Fs from 2-chlorophenol as precursor. Environ. Sci. Technol. 2008, 42:7301-7308.
-
(2008)
Environ. Sci. Technol.
, vol.42
, pp. 7301-7308
-
-
Zhang, Q.Z.1
Li, S.Q.2
Qu, X.H.3
Shi, X.Y.4
Wang, W.X.5
-
37
-
-
34548574872
-
Mechanism of OH-initiated atmospheric photooxidation of dichlorvos: a quantum mechanical study
-
Zhang Q.Z., Qu X.H., Wang W.X. Mechanism of OH-initiated atmospheric photooxidation of dichlorvos: a quantum mechanical study. Environ. Sci. Technol. 2007, 41:6109-6116.
-
(2007)
Environ. Sci. Technol.
, vol.41
, pp. 6109-6116
-
-
Zhang, Q.Z.1
Qu, X.H.2
Wang, W.X.3
-
38
-
-
77951803637
-
Quantum chemical and kinetic study on dioxin formation from the 2,4,6-TCP and 2,4-DCP precursors
-
Zhang Q.Z., Yu W.N., Zhang R.X., Zhou Q., Gao R., Wang W.X. Quantum chemical and kinetic study on dioxin formation from the 2,4,6-TCP and 2,4-DCP precursors. Environ. Sci. Technol. 2010, 44:3395-3403.
-
(2010)
Environ. Sci. Technol.
, vol.44
, pp. 3395-3403
-
-
Zhang, Q.Z.1
Yu, W.N.2
Zhang, R.X.3
Zhou, Q.4
Gao, R.5
Wang, W.X.6
-
39
-
-
77954908993
-
Biomass burning impact on PM2.5 over the southeastern US during 2007: integrating chemically speciated FRM filter measurements, MODIS fire counts and PMF analysis
-
Zhang X., Hecobian A., Zheng M., Frank N.H., Weber R.J. Biomass burning impact on PM2.5 over the southeastern US during 2007: integrating chemically speciated FRM filter measurements, MODIS fire counts and PMF analysis. Atmos. Chem. Phys. 2010, 10:6839-6853.
-
(2010)
Atmos. Chem. Phys.
, vol.10
, pp. 6839-6853
-
-
Zhang, X.1
Hecobian, A.2
Zheng, M.3
Frank, N.H.4
Weber, R.J.5
-
40
-
-
4344577294
-
Hybrid meta density functional theory methods for thermochemistry, thermochemical kinetics, and noncovalent interactions: the MPW1B95 and MPWB1K models and comparative assessments for hydrogen bonding and van der Waals interactions
-
Zhao Y., Truhlar D.G. Hybrid meta density functional theory methods for thermochemistry, thermochemical kinetics, and noncovalent interactions: the MPW1B95 and MPWB1K models and comparative assessments for hydrogen bonding and van der Waals interactions. J. Phys. Chem. A 2004, 108:6908-6918.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 6908-6918
-
-
Zhao, Y.1
Truhlar, D.G.2
-
41
-
-
62149150264
-
Ab initio study on the oxidation of NCN by OH: prediction of the individual and total rate constants
-
Zhu R.S., Nguyen H.M.T., Lin M.C. Ab initio study on the oxidation of NCN by OH: prediction of the individual and total rate constants. J. Phys. Chem. A 2009, 113:298-304.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 298-304
-
-
Zhu, R.S.1
Nguyen, H.M.T.2
Lin, M.C.3
|