-
1
-
-
75749108262
-
Adsorption and Reaction of Trace Gas-Phase Organic Compounds on Atmospheric Water Film Surfaces: A Critical Review
-
Donaldson, D. J.; Valsaraj, K. T. Adsorption and Reaction of Trace Gas-Phase Organic Compounds on Atmospheric Water Film Surfaces: A Critical Review Environ. Sci. Technol. 2010, 44, 865-873
-
(2010)
Environ. Sci. Technol.
, vol.44
, pp. 865-873
-
-
Donaldson, D.J.1
Valsaraj, K.T.2
-
2
-
-
0037199949
-
Air-Snow Interactions and Atmospheric Chemistry
-
Dominé, F.; Shepson, P. B. Air-Snow Interactions and Atmospheric Chemistry Science 2002, 297, 1506-1510
-
(2002)
Science
, vol.297
, pp. 1506-1510
-
-
Dominé, F.1
Shepson, P.B.2
-
3
-
-
17644411455
-
Organic Aerosol and Global Climate Modelling: A Review
-
Kanakidou, M.; Seinfeld, J. H.; Pandis, S. N.; Barnes, I.; Dentener, F. J.; Facchini, M. C.; Van Dingenen, R.; Ervens, B.; Nenes, A.; Nielsen, C. J.; Swietlicki, E.; Putaud, J. P.; Balkanski, Y.; Fuzzi, S.; Horth, J.; Moortgat, G. K.; Winterhalter, R.; Myhre, C. E. L.; Tsigaridis, K.; Vignati, E.; Stephanou, E. G.; Wilson, J. Organic Aerosol and Global Climate Modelling: A Review Atmos. Chem. Phys. 2005, 5, 1053-1123
-
(2005)
Atmos. Chem. Phys.
, vol.5
, pp. 1053-1123
-
-
Kanakidou, M.1
Seinfeld, J.H.2
Pandis, S.N.3
Barnes, I.4
Dentener, F.J.5
Facchini, M.C.6
Van Dingenen, R.7
Ervens, B.8
Nenes, A.9
Nielsen, C.J.10
Swietlicki, E.11
Putaud, J.P.12
Balkanski, Y.13
Fuzzi, S.14
Horth, J.15
Moortgat, G.K.16
Winterhalter, R.17
Myhre, C.E.L.18
Tsigaridis, K.19
Vignati, E.20
Stephanou, E.G.21
Wilson, J.22
more..
-
4
-
-
77956035338
-
Heterogeneous Oxidation of Atmospheric Aerosol Particles by Gas-Phase Radicals
-
George, I. J.; Abbatt, J. P. D. Heterogeneous Oxidation of Atmospheric Aerosol Particles by Gas-Phase Radicals Nat. Chem. 2010, 2, 713-722
-
(2010)
Nat. Chem.
, vol.2
, pp. 713-722
-
-
George, I.J.1
Abbatt, J.P.D.2
-
5
-
-
70350036275
-
Atmospheric Composition Change - Global and Regional Air Quality
-
Monks, P. S.; Granier, C.; Fuzzi, S.; Stohl, A.; Williams, M. L.; Akimoto, H.; Amann, M.; Baklanov, A.; Baltensperger, U.; Bey, I. Atmospheric Composition Change-Global and Regional Air Quality Atmos. Environ. 2009, 43, 5268-5350
-
(2009)
Atmos. Environ.
, vol.43
, pp. 5268-5350
-
-
Monks, P.S.1
Granier, C.2
Fuzzi, S.3
Stohl, A.4
Williams, M.L.5
Akimoto, H.6
Amann, M.7
Baklanov, A.8
Baltensperger, U.9
Bey, I.10
-
6
-
-
80051983355
-
The Formation, Properties and Impact of Secondary Organic Aerosol: Current and Emerging Issues
-
Hallquist, M.; Wenger, J. C.; Baltensperger, U.; Rudich, Y.; Simpson, D.; Claeys, M.; Dommen, J.; Donahue, N. M.; George, C.; Goldstein, A. H. The Formation, Properties and Impact of Secondary Organic Aerosol: Current and Emerging Issues Atmos. Chem. Phys. 2009, 9, 5155-5236
-
(2009)
Atmos. Chem. Phys.
, vol.9
, pp. 5155-5236
-
-
Hallquist, M.1
Wenger, J.C.2
Baltensperger, U.3
Rudich, Y.4
Simpson, D.5
Claeys, M.6
Dommen, J.7
Donahue, N.M.8
George, C.9
Goldstein, A.H.10
-
7
-
-
56449095332
-
Atmospheric Organic Particulate Matter: From Smoke to Secondary Organic Aerosol
-
Donahue, N. M.; Robinson, A. L.; Pandis, S. N. Atmospheric Organic Particulate Matter: From Smoke to Secondary Organic Aerosol Atmos. Environ. 2009, 43, 94-106
-
(2009)
Atmos. Environ.
, vol.43
, pp. 94-106
-
-
Donahue, N.M.1
Robinson, A.L.2
Pandis, S.N.3
-
8
-
-
44649155674
-
Aerosol-Cloud-Precipitation Interactions. Part 1. The Nature and Sources of Cloud-Active Aerosols
-
Andreae, M. O.; Rosenfeld, D. Aerosol-Cloud-Precipitation Interactions. Part 1. The Nature and Sources of Cloud-Active Aerosols Earth-Sci. Rev. 2008, 89, 13-41
-
(2008)
Earth-Sci. Rev.
, vol.89
, pp. 13-41
-
-
Andreae, M.O.1
Rosenfeld, D.2
-
9
-
-
43049158155
-
Chemistry of Secondary Organic Aerosol: Formation and Evolution of Low-Volatility Organics in the Atmosphere
-
Kroll, J. H.; Seinfeld, J. H. Chemistry of Secondary Organic Aerosol: Formation and Evolution of Low-Volatility Organics in the Atmosphere Atmos. Environ. 2008, 42, 3593-3624
-
(2008)
Atmos. Environ.
, vol.42
, pp. 3593-3624
-
-
Kroll, J.H.1
Seinfeld, J.H.2
-
10
-
-
28244437020
-
Atmospheric Aerosols: Composition, Transformation, Climate and Health Effects
-
Poschl, U. Atmospheric Aerosols: Composition, Transformation, Climate and Health Effects Angew. Chem., Int. Ed. 2005, 44, 7520-7540
-
(2005)
Angew. Chem., Int. Ed.
, vol.44
, pp. 7520-7540
-
-
Poschl, U.1
-
11
-
-
0020772372
-
Fogwater Chemistry in an Urban Atmosphere
-
Munger, J. W.; Jacob, D. J.; Waldman, J. M.; Hoffmann, M. R. Fogwater Chemistry in an Urban Atmosphere J. Geophys. Res., C: Oceans Atmos. 1983, 88, 5109-5121
-
(1983)
J. Geophys. Res., C: Oceans Atmos.
, vol.88
, pp. 5109-5121
-
-
Munger, J.W.1
Jacob, D.J.2
Waldman, J.M.3
Hoffmann, M.R.4
-
12
-
-
0037392633
-
Molecular Characterization of the Water-soluble Organic Compounds in Fogwater by ESIMS/MS
-
Cappiello, A.; De Simoni, E.; Fiorucci, C.; Mangani, F.; Palma, P.; Trufelli, H.; Decesari, S.; Facchini, M. C.; Fuzzi, S. Molecular Characterization of the Water-soluble Organic Compounds in Fogwater by ESIMS/MS Environ. Sci. Technol. 2003, 37, 1229-1240
-
(2003)
Environ. Sci. Technol.
, vol.37
, pp. 1229-1240
-
-
Cappiello, A.1
De Simoni, E.2
Fiorucci, C.3
Mangani, F.4
Palma, P.5
Trufelli, H.6
Decesari, S.7
Facchini, M.C.8
Fuzzi, S.9
-
13
-
-
0036743596
-
Organic Compounds in Radiation Fogs in Davis (California)
-
Herckes, P.; Hannigan, M. P.; Trenary, L.; Lee, T.; Collett, J. L., Jr. Organic Compounds in Radiation Fogs in Davis (California) Atmos. Res. 2002, 64, 99-108
-
(2002)
Atmos. Res.
, vol.64
, pp. 99-108
-
-
Herckes, P.1
Hannigan, M.P.2
Trenary, L.3
Lee, T.4
Collett Jr., J.L.5
-
14
-
-
41149154333
-
Characterisation of Solvent Extractable Organic Constituents in Atmospheric Particulate Matter: An Overview
-
Alves, C. A. Characterisation of Solvent Extractable Organic Constituents in Atmospheric Particulate Matter: An Overview An. Acad. Bras. Cienc. 2008, 80, 21-82
-
(2008)
An. Acad. Bras. Cienc.
, vol.80
, pp. 21-82
-
-
Alves, C.A.1
-
15
-
-
39749129711
-
Fog Chemistry in the Texas-Louisiana Gulf Coast Corridor
-
Raja, S.; Raghunathan, R.; Yu, X.-Y.; Lee, T.; Chen, J.; Kommalapati, R. R.; Murugesan, K.; Shen, X.; Qingzhong, Y.; Valsaraj, K. T. Fog Chemistry in the Texas-Louisiana Gulf Coast Corridor Atmos. Environ. 2008, 42, 2048-2061
-
(2008)
Atmos. Environ.
, vol.42
, pp. 2048-2061
-
-
Raja, S.1
Raghunathan, R.2
Yu, X.-Y.3
Lee, T.4
Chen, J.5
Kommalapati, R.R.6
Murugesan, K.7
Shen, X.8
Qingzhong, Y.9
Valsaraj, K.T.10
-
16
-
-
29444459247
-
Monitoring of Fogwater Chemistry in the Gulf Coast Urban Industrial Corridor: Baton Rouge (Louisiana)
-
Raja, S.; Ravikrishna, R.; Kommalapati, R. R.; Valsaraj, K. T. Monitoring of Fogwater Chemistry in the Gulf Coast Urban Industrial Corridor: Baton Rouge (Louisiana) Environ. Monit. Assess. 2005, 110, 99-120
-
(2005)
Environ. Monit. Assess.
, vol.110
, pp. 99-120
-
-
Raja, S.1
Ravikrishna, R.2
Kommalapati, R.R.3
Valsaraj, K.T.4
-
17
-
-
33746906658
-
Uptake and UV-photooxidation of Gas-phase PAHs on the Surface of Atmospheric Water Films. 1. Naphthalene
-
Chen, J.; Ehrenhauser, F. S.; Valsaraj, K. T.; Wornat, M. J. Uptake and UV-photooxidation of Gas-phase PAHs on the Surface of Atmospheric Water Films. 1. Naphthalene J. Phys. Chem. A 2006, 110, 9161-9168
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 9161-9168
-
-
Chen, J.1
Ehrenhauser, F.S.2
Valsaraj, K.T.3
Wornat, M.J.4
-
18
-
-
34250365845
-
Uptake and UV-Photooxidation of Gas-Phase Polyaromatic Hydrocarbons on the Surface of Atmospheric Water Films. 2. Effects of Dissolved Surfactants on Naphthalene Photooxidation
-
Chen, J.; Valsaraj, K. T. Uptake and UV-Photooxidation of Gas-Phase Polyaromatic Hydrocarbons on the Surface of Atmospheric Water Films. 2. Effects of Dissolved Surfactants on Naphthalene Photooxidation J. Phys. Chem. A 2007, 111, 4289-4296
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 4289-4296
-
-
Chen, J.1
Valsaraj, K.T.2
-
19
-
-
84889337346
-
Biogenic VOCs
-
In; Koppelman, R. Blackwell Publishers: Ames, IA
-
Steiner, A.; Goldstein, A. L. Biogenic VOCs. In VOCs in the Environment; Koppelman, R., Ed.; Blackwell Publishers: Ames, IA, 2007; pp 82-128.
-
(2007)
VOCs in the Environment
, pp. 82-128
-
-
Steiner, A.1
Goldstein, A.L.2
-
20
-
-
77954658730
-
Characterization of Dissolved Organic Matter in Fogwater by Excitation-Emission Matrix Fluorescence Spectroscopy
-
Birdwell, J. E.; Valsaraj, K. T. Characterization of Dissolved Organic Matter in Fogwater by Excitation-Emission Matrix Fluorescence Spectroscopy Atmos. Environ. 2010, 44, 3246-3253
-
(2010)
Atmos. Environ.
, vol.44
, pp. 3246-3253
-
-
Birdwell, J.E.1
Valsaraj, K.T.2
-
21
-
-
0029412344
-
A Global Model of Natural Volatile Organic Compound Emissions
-
Guenther, A.; Hewitt, C. N.; Erickson, D.; Fall, R.; Geron, C.; Graedel, T.; Harley, P.; Klinger, L.; Lerdau, M.; McKay, W. A.; Pierce, T.; Scholes, B.; Steinbrecher, R.; Tallamraju, R.; Taylor, J.; Zimmerman, P. A Global Model of Natural Volatile Organic Compound Emissions J. Geophys. Res. 1995, 100, 8873-8892
-
(1995)
J. Geophys. Res.
, vol.100
, pp. 8873-8892
-
-
Guenther, A.1
Hewitt, C.N.2
Erickson, D.3
Fall, R.4
Geron, C.5
Graedel, T.6
Harley, P.7
Klinger, L.8
Lerdau, M.9
McKay, W.A.10
Pierce, T.11
Scholes, B.12
Steinbrecher, R.13
Tallamraju, R.14
Taylor, J.15
Zimmerman, P.16
-
22
-
-
0000507285
-
Atmospheric Chemistry of Biogenic Organic Compounds
-
Atkinson, R.; Arey, J. Atmospheric Chemistry of Biogenic Organic Compounds Acc. Chem. Res. 1998, 31, 574-583
-
(1998)
Acc. Chem. Res.
, vol.31
, pp. 574-583
-
-
Atkinson, R.1
Arey, J.2
-
23
-
-
43649093158
-
Approaches for Quantifying Reactive and Low-Volatility Biogenic Organic Compound Emissions by Vegetation Enclosure Techniques - Part A
-
Ortega, J.; Helmig, D. Approaches for Quantifying Reactive and Low-Volatility Biogenic Organic Compound Emissions by Vegetation Enclosure Techniques-Part A Chemosphere 2008, 72, 343-364
-
(2008)
Chemosphere
, vol.72
, pp. 343-364
-
-
Ortega, J.1
Helmig, D.2
-
24
-
-
10744230333
-
Formation of Secondary Organic Aerosols through Photooxidation of Isoprene
-
Claeys, M.; Graham, B.; Vas, G.; Wang, W.; Vermeylen, R.; Pashynska, V.; Cafmeyer, J.; Guyon, P.; Andreae, M. O.; Artaxo, P. Formation of Secondary Organic Aerosols through Photooxidation of Isoprene Science 2004, 303, 1173-1176
-
(2004)
Science
, vol.303
, pp. 1173-1176
-
-
Claeys, M.1
Graham, B.2
Vas, G.3
Wang, W.4
Vermeylen, R.5
Pashynska, V.6
Cafmeyer, J.7
Guyon, P.8
Andreae, M.O.9
Artaxo, P.10
-
25
-
-
33745713468
-
Global Secondary Organic Aerosol from Isoprene Oxidation
-
Henze, D. K.; Seinfeld, J. H. Global Secondary Organic Aerosol from Isoprene Oxidation Geophys. Res. Lett. 2006, 33, L09812
-
(2006)
Geophys. Res. Lett.
, vol.33
, pp. 09812
-
-
Henze, D.K.1
Seinfeld, J.H.2
-
26
-
-
0035057201
-
Gasphase OH Oxidation of Monoterpenes: Gaseous and Particulate Products
-
Larsen, B. R.; Di Bella, D.; Glasius, M.; Winterhalter, R.; Jensen, N. R.; Hjorth, J. Gasphase OH Oxidation of Monoterpenes: Gaseous and Particulate Products J. Atmos. Chem. 2001, 38, 231-276
-
(2001)
J. Atmos. Chem.
, vol.38
, pp. 231-276
-
-
Larsen, B.R.1
Di Bella, D.2
Glasius, M.3
Winterhalter, R.4
Jensen, N.R.5
Hjorth, J.6
-
27
-
-
33847609559
-
Known and Unexplored Organic Constituents in the Earth's Atmosphere
-
Goldstein, A. H.; Galbally, I. E. Known and Unexplored Organic Constituents in the Earth's Atmosphere Environ. Sci. Technol. 2007, 41, 1514-1521
-
(2007)
Environ. Sci. Technol.
, vol.41
, pp. 1514-1521
-
-
Goldstein, A.H.1
Galbally, I.E.2
-
28
-
-
0034849970
-
Seasonal Patterns of Non-Terpenoid C6-C10 VOC Emission from Seven Mediterranean Woody Species
-
Penuelas, J.; Llusia, J. Seasonal Patterns of Non-Terpenoid C6-C10 VOC Emission from Seven Mediterranean Woody Species Chemosphere 2001, 45, 237-244
-
(2001)
Chemosphere
, vol.45
, pp. 237-244
-
-
Penuelas, J.1
Llusia, J.2
-
29
-
-
0028971275
-
Hydrocarbon Emissions from Natural Vegetation in California's South Coast Air Basin
-
Arey, J.; Crowley, D. E.; Crowley, M.; Resketo, M.; Lester, J. Hydrocarbon Emissions from Natural Vegetation in California's South Coast Air Basin Atmos. Environ. 1995, 29, 2977-2988
-
(1995)
Atmos. Environ.
, vol.29
, pp. 2977-2988
-
-
Arey, J.1
Crowley, D.E.2
Crowley, M.3
Resketo, M.4
Lester, J.5
-
30
-
-
0028990320
-
Relative Contribution of Oxygenated Hydrocarbons to the Total Biogenic VOC Emissions of Selected Mid-European Agricultural and Natural Plant Species
-
König, G.; Brunda, M.; Puxbaum, H.; Hewitt, C. N.; Duckham, S. C.; Rudolph, J. Relative Contribution of Oxygenated Hydrocarbons to the Total Biogenic VOC Emissions of Selected Mid-European Agricultural and Natural Plant Species Atmos. Environ. 1995, 29, 861-874
-
(1995)
Atmos. Environ.
, vol.29
, pp. 861-874
-
-
König, G.1
Brunda, M.2
Puxbaum, H.3
Hewitt, C.N.4
Duckham, S.C.5
Rudolph, J.6
-
31
-
-
0348049767
-
Flux of Organic Compounds from Grass Measured by Relaxed Eddy Accumulation Technique
-
Olofsson, M.; Ek-Olausson, B.; Ljungström, E.; Langer, S. Flux of Organic Compounds from Grass Measured by Relaxed Eddy Accumulation Technique J. Environ. Monitor. 2003, 5, 963-970
-
(2003)
J. Environ. Monitor.
, vol.5
, pp. 963-970
-
-
Olofsson, M.1
Ek-Olausson, B.2
Ljungström, E.3
Langer, S.4
-
32
-
-
84874074035
-
Molecular Simulations of Green Leaf Volatiles and Atmospheric Oxidants on Air/Water Interfaces
-
Liyana-Arachchi, T. P.; Stevens, C.; Hansel, A. K.; Ehrenhauser, F. S.; Valsaraj, K. T.; Hung, F. R. Molecular Simulations of Green Leaf Volatiles and Atmospheric Oxidants on Air/Water Interfaces Phys. Chem. Chem. Phys. 2013, 15, 3583-3592
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 3583-3592
-
-
Liyana-Arachchi, T.P.1
Stevens, C.2
Hansel, A.K.3
Ehrenhauser, F.S.4
Valsaraj, K.T.5
Hung, F.R.6
-
34
-
-
0033504483
-
Variation in Chemical Composition and Quality of Tea (Camellia Sinensis) with Increasing Blister Blight (Exobasidium Vexans) Severity
-
Gulati, A.; Ravindranath, S. D.; Gupta, A. K. Variation in Chemical Composition and Quality of Tea (Camellia Sinensis) with Increasing Blister Blight (Exobasidium Vexans) Severity Mycol. Res. 1999, 103, 1380-1384
-
(1999)
Mycol. Res.
, vol.103
, pp. 1380-1384
-
-
Gulati, A.1
Ravindranath, S.D.2
Gupta, A.K.3
-
35
-
-
0001576732
-
Identification of Potent Aroma Components in Brewed Black Teas
-
Kumazawa, K.; Masuda, H.; Nishimura, O.; Kato, T. Identification of Potent Aroma Components in Brewed Black Teas J. Jpn. Soc. Food Sci. 1998, 45, 728-734
-
(1998)
J. Jpn. Soc. Food Sci.
, vol.45
, pp. 728-734
-
-
Kumazawa, K.1
Masuda, H.2
Nishimura, O.3
Kato, T.4
-
36
-
-
0033191852
-
(Z)-3-Hexenyl and trans-Linalool 3,7-oxide β-Primeverosides Isolated as Aroma Precursors from Leaves of a Green Tea Cultivar
-
Nishikitani, M.; Wang, D.; Kubota, K.; Kobayashi, A.; Sugawara, F. (Z)-3-Hexenyl and trans-Linalool 3,7-oxide β-Primeverosides Isolated as Aroma Precursors from Leaves of a Green Tea Cultivar Biosci., Biotechnol., Biochem. 1999, 63, 1631-1633
-
(1999)
Biosci., Biotechnol., Biochem.
, vol.63
, pp. 1631-1633
-
-
Nishikitani, M.1
Wang, D.2
Kubota, K.3
Kobayashi, A.4
Sugawara, F.5
-
37
-
-
0031025646
-
Airborne Signalling by Methyl Salicylate in Plant Pathogen Resistance
-
Shulaev, V.; Silverman, P.; Raskin, I. Airborne Signalling by Methyl Salicylate in Plant Pathogen Resistance Nature 1997, 385, 718-721
-
(1997)
Nature
, vol.385
, pp. 718-721
-
-
Shulaev, V.1
Silverman, P.2
Raskin, I.3
-
38
-
-
0032699796
-
Emission of Volatile Organic Compounds from Ozone-Exposed Plants
-
Heiden, A. C.; Hoffmann, T.; Kahl, J.; Kley, D.; Klockow, D.; Langebartels, C.; Mehlhorn, H.; Sandermann, H.; Schraudner, M.; Schuh, G. Emission of Volatile Organic Compounds from Ozone-Exposed Plants Ecol. Appl. 1999, 9, 1160-1167
-
(1999)
Ecol. Appl.
, vol.9
, pp. 1160-1167
-
-
Heiden, A.C.1
Hoffmann, T.2
Kahl, J.3
Kley, D.4
Klockow, D.5
Langebartels, C.6
Mehlhorn, H.7
Sandermann, H.8
Schraudner, M.9
Schuh, G.10
-
39
-
-
0036564907
-
The Atmospheric Chemistry of Methyl Salicylate - Reactions with Atomic Chlorine and with Ozone
-
Canosa-Mas, C. E.; Duffy, J. M.; King, M. D.; Thompson, K. C.; Wayne, R. P. The Atmospheric Chemistry of Methyl Salicylate-Reactions with Atomic Chlorine and with Ozone Atmos. Environ. 2002, 36, 2201-2205
-
(2002)
Atmos. Environ.
, vol.36
, pp. 2201-2205
-
-
Canosa-Mas, C.E.1
Duffy, J.M.2
King, M.D.3
Thompson, K.C.4
Wayne, R.P.5
-
40
-
-
84878354738
-
-
OECD: OECD Guideline for the Testing of Chemicals # 107 Partition Coefficient (n-octanol/water): Shake Flask Method. OECD
-
OECD: OECD Guideline for the Testing of Chemicals # 107 Partition Coefficient (n-octanol/water): Shake Flask Method. OECD, 1995; p 4.
-
(1995)
, pp. 4
-
-
-
41
-
-
46249092554
-
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
-
Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 4, 435-447
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
42
-
-
0029878720
-
VMD: Visual Molecular Dynamics
-
Humphrey, W.; Dalke, A.; Schulten, K. VMD: Visual Molecular Dynamics J. Mol. Graphics 1996, 14, 33-38
-
(1996)
J. Mol. Graphics
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
43
-
-
1242346370
-
The Missing Term in Effective Pair Potentials
-
Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. The Missing Term in Effective Pair Potentials J. Phys. Chem. 1987, 91, 6269-6271
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 6269-6271
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straatsma, T.P.3
-
44
-
-
0029912748
-
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
-
Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids J. Am. Chem. Soc. 1996, 118, 11225-11236
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
45
-
-
0034641331
-
Partitioning of Alkane and Alcohol Solutes between Water and (Dry or Wet) 1-Octanol
-
Chen, B.; Siepmann, J. I. Partitioning of Alkane and Alcohol Solutes Between Water and (Dry or Wet) 1-Octanol J. Am. Chem. Soc. 2000, 122, 6464-6467
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 6464-6467
-
-
Chen, B.1
Siepmann, J.I.2
-
46
-
-
33644902649
-
Microscopic Structure and Solvation in Dry and Wet Octanol
-
Chen, B.; Siepmann, J. I. Microscopic Structure and Solvation in Dry and Wet Octanol J. Phys. Chem. B 2006, 110, 3555-3563
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 3555-3563
-
-
Chen, B.1
Siepmann, J.I.2
-
47
-
-
0141990949
-
Extremely Precise Free Energy Calculations of Amino Acid Side Chain Analogs: Comparison of Common Molecular Mechanics Force Fields for Proteins
-
Shirts, M. R.; Pitera, J. W.; Swope, W. C.; Pande, V. S. Extremely Precise Free Energy Calculations of Amino Acid Side Chain Analogs: Comparison of Common Molecular Mechanics Force Fields for Proteins J. Chem. Phys. 2003, 119, 5740-5761
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 5740-5761
-
-
Shirts, M.R.1
Pitera, J.W.2
Swope, W.C.3
Pande, V.S.4
-
48
-
-
84862858652
-
Organic Molecules on the Surface of Water Droplets - An Energetic Perspective
-
Hub, J. S.; Caleman, C.; van der Spoel, D. Organic Molecules on the Surface of Water Droplets-An Energetic Perspective Phys. Chem. Chem. Phys. 2012, 14, 9537-9545
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 9537-9545
-
-
Hub, J.S.1
Caleman, C.2
Van Der Spoel, D.3
-
49
-
-
5244304444
-
Efficient Estimation of Free Energy Differences from Monte Carlo Data
-
Bennett, C. H. Efficient Estimation of Free Energy Differences from Monte Carlo Data J. Comput. Phys. 1976, 22, 245-268
-
(1976)
J. Comput. Phys.
, vol.22
, pp. 245-268
-
-
Bennett, C.H.1
-
50
-
-
84858429410
-
Computational Prediction of Ionic Liquid 1-Octanol/Water Partition Coefficients
-
Kamath, G.; Bhatnagar, N.; Baker, G. A.; Baker, S. N.; Potoff, J. J. Computational Prediction of Ionic Liquid 1-Octanol/Water Partition Coefficients Phys. Chem. Chem. Phys. 2012, 14, 4339-4342
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 4339-4342
-
-
Kamath, G.1
Bhatnagar, N.2
Baker, G.A.3
Baker, S.N.4
Potoff, J.J.5
-
51
-
-
84866411740
-
Ice Growth from Supercooled Aqueous Solutions of Benzene, Naphthalene, and Phenanthrene
-
Liyana-Arachchi, T. P.; Valsaraj, K. T.; Hung, F. R. Ice Growth from Supercooled Aqueous Solutions of Benzene, Naphthalene, and Phenanthrene J. Phys. Chem. A 2012, 116, 8539-8546
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 8539-8546
-
-
Liyana-Arachchi, T.P.1
Valsaraj, K.T.2
Hung, F.R.3
-
53
-
-
33749335353
-
Adsorption of Polycyclic Aromatic Hydrocarbons at the Air-Water Interface: Molecular Dynamics Simulations and Experimental Atmospheric Observations
-
Vacha, R.; Jungwirth, P.; Chen, J.; Valsaraj, K. T. Adsorption of Polycyclic Aromatic Hydrocarbons at the Air-Water Interface: Molecular Dynamics Simulations and Experimental Atmospheric Observations Phys. Chem. Chem. Phys. 2006, 8, 4461-4467
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 4461-4467
-
-
Vacha, R.1
Jungwirth, P.2
Chen, J.3
Valsaraj, K.T.4
-
54
-
-
77956162779
-
Computational Investigation of the Influence of Surfactants on the Air-Water Interfacial Behavior of Polycylic Aromatic Hydrocarbons
-
Wick, C. D.; Chen, B.; Valsaraj, K. T. Computational Investigation of the Influence of Surfactants on the Air-Water Interfacial Behavior of Polycylic Aromatic Hydrocarbons J. Phys. Chem. C 2010, 114, 14520-14527
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 14520-14527
-
-
Wick, C.D.1
Chen, B.2
Valsaraj, K.T.3
-
55
-
-
80052283779
-
Adsorption of Gas-Phase Phenanthrene on Atmospheric Water and Ice Films
-
Chen, J.; Ehrenhauser, F.; Liyana-Arachchi, T. P.; Hung, F. R.; Wornat, M. J.; Valsaraj, K. T. Adsorption of Gas-Phase Phenanthrene on Atmospheric Water and Ice Films Polycyclic Aromat. Compd. 2011, 31, 201-226
-
(2011)
Polycyclic Aromat. Compd.
, vol.31
, pp. 201-226
-
-
Chen, J.1
Ehrenhauser, F.2
Liyana-Arachchi, T.P.3
Hung, F.R.4
Wornat, M.J.5
Valsaraj, K.T.6
-
56
-
-
80051912101
-
A Molecular Simulation Study of the Adsorption of Naphthalene and Ozone on Atmospheric Air/Ice Interfaces
-
Liyana-Arachchi, T. P.; Valsaraj, K. T.; Hung, F. R. A Molecular Simulation Study of the Adsorption of Naphthalene and Ozone on Atmospheric Air/Ice Interfaces J. Phys. Chem. A 2011, 115, 9226-9236
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 9226-9236
-
-
Liyana-Arachchi, T.P.1
Valsaraj, K.T.2
Hung, F.R.3
-
57
-
-
84858309128
-
Adsorption of Naphthalene and Ozone on Atmospheric Air/Ice Interfaces Coated with Surfactants: A Molecular Simulation Study
-
Liyana-Arachchi, T. P.; Valsaraj, K. T.; Hung, F. R. Adsorption of Naphthalene and Ozone on Atmospheric Air/Ice Interfaces Coated with Surfactants: A Molecular Simulation Study J. Phys. Chem. A 2012, 116, 2519-2528
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 2519-2528
-
-
Liyana-Arachchi, T.P.1
Valsaraj, K.T.2
Hung, F.R.3
-
58
-
-
84870396950
-
Ice Growth from Supercooled Aqueous Solutions of Reactive Oxygen Species
-
Liyana-Arachchi, T. P.; Valsaraj, K. T.; Hung, F. R. Ice Growth from Supercooled Aqueous Solutions of Reactive Oxygen Species Theor. Chem. Acc. 2013, 132, 1309
-
(2013)
Theor. Chem. Acc.
, vol.132
, pp. 1309
-
-
Liyana-Arachchi, T.P.1
Valsaraj, K.T.2
Hung, F.R.3
-
60
-
-
84863705799
-
Direct Calculation of 1-Octanol-Water Partition Coefficients from Adaptive Biasing Force Molecular Dynamics Simulations
-
Bhatnagar, N.; Kamath, G.; Chelst, I.; Potoff, J. J. Direct Calculation of 1-Octanol-Water Partition Coefficients from Adaptive Biasing Force Molecular Dynamics Simulations J. Chem. Phys. 2012, 137, 014502
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 014502
-
-
Bhatnagar, N.1
Kamath, G.2
Chelst, I.3
Potoff, J.J.4
-
61
-
-
79955556311
-
Atomistic Simulation of Ion Solvation in Water Explains Surface Preference of Halides
-
Caleman, C.; Hub, J. S.; van Maaren, P. J.; van der Spoel, D. Atomistic Simulation of Ion Solvation in Water Explains Surface Preference of Halides Proc. Natl. Acad. Sci. U. S. A. 2011, 108, 6838-6842
-
(2011)
Proc. Natl. Acad. Sci. U. S. A.
, vol.108
, pp. 6838-6842
-
-
Caleman, C.1
Hub, J.S.2
Van Maaren, P.J.3
Van Der Spoel, D.4
-
62
-
-
33847643248
-
6] from Liquid to High-Melting-Point Crystal When Confined in Multiwalled Carbon Nanotubes
-
6] from Liquid to High-Melting-Point Crystal When Confined in Multiwalled Carbon Nanotubes J. Am. Chem. Soc. 2007, 129, 2416-2417
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 2416-2417
-
-
Chen, S.1
Wu, G.2
Sha, M.3
Huang, S.4
-
63
-
-
78549264425
-
Molecular Dynamics Simulation Study of Water Surfaces: Comparison of Flexible Water Models
-
Yuet, P. K.; Blankschtein, D. Molecular Dynamics Simulation Study of Water Surfaces: Comparison of Flexible Water Models J. Phys. Chem. B 2010, 114, 13786-13795
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 13786-13795
-
-
Yuet, P.K.1
Blankschtein, D.2
-
64
-
-
34247324361
-
Surface tension of the Most Popular Models of Water by Using the Test-Area Simulation Method
-
Vega, C.; de Miguel, E. Surface tension of the Most Popular Models of Water by Using the Test-Area Simulation Method J. Chem. Phys. 2007, 126, 154707
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 154707
-
-
Vega, C.1
De Miguel, E.2
-
65
-
-
33745786556
-
Capillary Waves at the Liquid-Vapor Interface and the Surface Tension of Water
-
Ismail, A. E.; Grest, G. S.; Stevens, M. J. Capillary Waves at the Liquid-Vapor Interface and the Surface Tension of Water J. Chem. Phys. 2006, 125, 014702
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 014702
-
-
Ismail, A.E.1
Grest, G.S.2
Stevens, M.J.3
-
66
-
-
33748765260
-
Surface Tension Prediction Using Characteristics of the Density Profile Through the Interfacial Region
-
Wemhoff, A. P.; Carey, V. P. Surface Tension Prediction Using Characteristics of the Density Profile Through the Interfacial Region Int. J. Thermophys. 2006, 27, 413-436
-
(2006)
Int. J. Thermophys.
, vol.27
, pp. 413-436
-
-
Wemhoff, A.P.1
Carey, V.P.2
-
67
-
-
34250722692
-
Simulated Surface Tensions of Common Water Models
-
Chen, F.; Smith, P. E. Simulated Surface Tensions of Common Water Models J. Chem. Phys. 2007, 126, 221101
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 221101
-
-
Chen, F.1
Smith, P.E.2
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