-
1
-
-
29244471731
-
A general purpose model for the condensed phases of water: TIP4P/2005
-
DOI 10.1063/1.2121687, 234505
-
Abascal, J. L. F. and Vega, C.: A general purpose model for the condensed phases of water: TIP4P/2005, J. Chem. Phys., 123, 234505, doi:10.1063/1. 2121687, 2005. (Pubitemid 41828986)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.23
, pp. 1-12
-
-
Abascal, J.L.F.1
Vega, C.2
-
2
-
-
45949089026
-
Effect of surface tension from MD simulations on size-dependent deliquescence of NaCl nanoparticles
-
DOI 10.1080/02786820802104965, PII 793494939
-
Bahadur, R. and Russel, L. M.: Effect of surface tension from MD simulations on size-dependent deliquescence of NaCl nanoparti-cles, Aerosol Sci. Tech., 42, 369-376, 2008. (Pubitemid 351891668)
-
(2008)
Aerosol Science and Technology
, vol.42
, Issue.5
, pp. 369-376
-
-
Bahadur, R.1
Russell, L.M.2
-
3
-
-
1242346370
-
The missing term in effective pair potentials
-
Berendsen, H. J. C., Grigera, J. R., and Straatsma, T. P.: The missing term in effective pair potentials, J. Phys. Chem., 91, 6269-6271, 1987.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 6269-6271
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straatsma, T.P.3
-
4
-
-
39649085135
-
Sticking coefficient and processing of water vapor on organic-coated nanoaerosols
-
DOI 10.1021/jp076442f
-
Chakraborty, P. and Zachariah, M. R.: Sticking coefficient and processing of water vapor on organic coated nanoaerosols, J. Phys. Chem. A, 112, 966-972, 2008. (Pubitemid 351288181)
-
(2008)
Journal of Physical Chemistry A
, vol.112
, Issue.5
, pp. 966-972
-
-
Chakraborty, P.1
Zachariah, M.R.2
-
5
-
-
34250722692
-
Simulated surface tensions of common water models
-
DOI 10.1063/1.2745718
-
Chen, F. and Smith, P. E.: Simulated surface tensions of common water models, J. Chem. Phys., 126, 221101, doi:10.1063/1.2745718, 2007. (Pubitemid 46961569)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.22
, pp. 221101
-
-
Chen, F.1
Smith, P.E.2
-
6
-
-
0029732691
-
Air-sea exchange: Sea salt and organic microcomponents in Antarctic snow
-
Cini, R., Innocenti, N. D., Loglio, G., Oppo, C., Orlandi, G., Stor-tini, A. M., Tesei, U., and Udisti, R.: Air-sea exchange: sea salt and organic micro components in Antarctic snow, Int. J. Environ. An. Chem., 63, 15-27, 1996. (Pubitemid 126604415)
-
(1996)
International Journal of Environmental Analytical Chemistry
, vol.63
, Issue.1
, pp. 15-27
-
-
Cini, R.1
Degli Innocenti, N.2
Loglio, G.3
Oppo, C.4
Orlandi, G.5
Stortini, A.M.6
Tesei, U.7
Udisti, R.8
-
7
-
-
33846823909
-
Particle mesh ewald: An N-log(N) method for Ewald sums in large systems
-
Darden, T., York, D., and Pedersen, L.: Particle mesh ewald: an N-log(N) method for Ewald sums in large systems, J. Chem. Phys., 98, 10089-10092, 1993.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
8
-
-
0034948874
-
Chemical features and seasonal variation of fine aerosol water-soluble organic compounds in the Po Valley, Italy
-
DOI 10.1016/S1352-2310(00)00509-4, PII S1352231000005094
-
Decesari, S., Facchini, M. C., Matta, E., Lettini, F., Mircea, M., Fuzzi, S., Tagliavini, E., and Putaud, J. P.: Chemical features and seasonal variation of fine aerosol water-soluble organic compounds in the Po Valley, Italy, Atmos. Environ., 35, 3691-3699, 2001. (Pubitemid 32586862)
-
(2001)
Atmospheric Environment
, vol.35
, Issue.21
, pp. 3691-3699
-
-
Decesari, S.1
Facchini, M.C.2
Matta, E.3
Lettini, F.4
Mircea, M.5
Fuzzi, S.6
Tagliavini, E.7
Putaud, J.-P.8
-
9
-
-
33645961739
-
A smooth particle mesh Ewald potential
-
Essmann, U., Perera, L., Berkowitz, M. L., Darden, T., Lee, H., and Pedersen, L. G.: A smooth particle mesh Ewald potential, J. Chem. Phys., 103, 8577-8592, 1995.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8592
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
10
-
-
0033589449
-
Partitioning of the organic aerosol component between fog droplets and interstitial air
-
Facchini, M. C., Fuzzi, S., Zappoli, S., Andracchio, A., Gelencser, A., Kiss, G., Krivacsy, Z., Meszaros, E., Hansson, H. C., Alsberg, T., and Zebuhr, Y.: Partitioning of the organic aerosol component between fog droplets and interstitial air, J. Geophys. Res., 104, 26821-26832, 1999a.
-
(1999)
J. Geophys. Res.
, vol.104
, pp. 26821-26832
-
-
Facchini, M.C.1
Fuzzi, S.2
Zappoli, S.3
Andracchio, A.4
Gelencser, A.5
Kiss, G.6
Krivacsy, Z.7
Meszaros, E.8
Hansson, H.C.9
Alsberg, T.10
Zebuhr, Y.11
-
11
-
-
0033575915
-
Cloud albedo enhancement by surface-active organic solutes in growing droplets
-
Facchini, M. C., Mircea, M., Fuzzi, S., and Charlson, R. J.: Cloud albedo enhancement by surface-active organic solutes in growing droplets, Nature, 401, 257-259, 1999b.
-
(1999)
Nature
, vol.401
, pp. 257-259
-
-
Facchini, M.C.1
Mircea, M.2
Fuzzi, S.3
Charlson, R.J.4
-
12
-
-
0034283462
-
Surface tension of atmospheric wet aerosol and cloud/fog droplets in relation to their organic carbon content and chemical composition
-
Facchini, M. C., Decesari, S., Mircea, M., Fuzzi, S., and Loglio, G.: Surface tension of atmospheric wet aerosol and cloud/fog droplets in relation to their organic carbon content and chemical composition, Atmos. Environ., 34, 4853-4857, 2000.
-
(2000)
Atmos. Environ.
, vol.34
, pp. 4853-4857
-
-
Facchini, M.C.1
Decesari, S.2
Mircea, M.3
Fuzzi, S.4
Loglio, G.5
-
13
-
-
37349079722
-
Changes in atmospheric constituents and in radiative forcing
-
Contribution of Working Group I to the Fourth Assessment Report of the Intergovernmental Panel on Climate Change chap. 2 edited by: Solomon, S., Qin D., Manning, M., Chen, Z., Marquis, M., Averyt, K. B., Tignor, M., and Miller, H. L. Cambridge University Press, Cambridge, UK and New York, NY, USA
-
Forster, P., Ramaswamy, V., Artaxo, P., Berntsen, T., Betts, R., Fa-hey, D. W., Haywood, J., Lean, J., Lowe, D. C., Myhre, G., Nganga, J., Prinn, R., Raga, G., Schulz, M., and Van Dorland, R.: Changes in Atmospheric Constituents and in Radiative Forcing in: Climate Change 2007: The Physical Science Basis. Contribution of Working Group I to the Fourth Assessment Report of the Intergovernmental Panel on Climate Change chap. 2 edited by: Solomon, S., Qin D., Manning, M., Chen, Z., Marquis, M., Averyt, K. B., Tignor, M., and Miller, H. L. Cambridge University Press, Cambridge, UK and New York, NY, USA. 131-234, 2007.
-
(2007)
Climate Change 2007: The Physical Science Basis
, pp. 131-234
-
-
Forster, P.1
Ramaswamy, V.2
Artaxo, P.3
Berntsen, T.4
Betts, R.5
Fa-Hey, D.W.6
Haywood, J.7
Lean, J.8
Lowe, D.C.9
Myhre, G.10
Nganga, J.11
Prinn, R.12
Raga, G.13
Schulz, M.14
Van Dorland, R.15
-
14
-
-
66249108270
-
Isoprene, monoterpene, and sesquiterpene oxidation products in the high arctic aerosols during late winter to early summer
-
Fu, P., Kawamura, K., Chen, J., and Barrie, L. A.: Isoprene, monoterpene, and sesquiterpene oxidation products in the high arctic aerosols during late winter to early summer, Environ. Sci. Technol., 43, 4022-4028, 2009.
-
(2009)
Environ. Sci. Technol.
, vol.43
, pp. 4022-4028
-
-
Fu, P.1
Kawamura, K.2
Chen, J.3
Barrie, L.A.4
-
15
-
-
38749123962
-
P-lincs: A parallel linear constraint solver for molecular simulation
-
Hess, B.: P-lincs: a parallel linear constraint solver for molecular simulation, J. Chem. Theory Comput., 4, 116-122, 2007.
-
(2007)
J. Chem. Theory Comput.
, vol.4
, pp. 116-122
-
-
Hess, B.1
-
16
-
-
0000388705
-
LINCS: A Linear Constraint Solver for molecular simulations
-
Hess, B., Bekker, H., Berendsen, H. J. C., and Fraaije, J. G. E. M.: LINCS: a linear constraint solver for molecular simulations, J. Comput. Chem., 18, 1463-1472, 1997. (Pubitemid 127637344)
-
(1997)
Journal of Computational Chemistry
, vol.18
, Issue.12
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
17
-
-
46249092554
-
GRO-MACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
Hess, B., Kutzner, C., van der Spoel, D., and Lindahl, E.: GRO-MACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation, J. Chem. Theory Comput., 4, 435-447, 2008.
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
18
-
-
0001538909
-
Canonical dynamics: Equilibrium phase-space distributions
-
doi:10.1103/PhysRevA.31.1695
-
Hoover, W. G.: Canonical dynamics: Equilibrium phase-space distributions, Phys. Rev. A, 31, 1695-1697, doi:10.1103/PhysRevA.31.1695, 1985.
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
19
-
-
0029878720
-
VMD - Visual molecular dynamics
-
Humphrey, W., Dalke, A., and Schulten, K.: VMD - visual molecular dynamics, J. Mol. Graphics, 14, 33-38, 1996.
-
(1996)
J. Mol. Graphics
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
20
-
-
0029912748
-
Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
-
DOI 10.1021/ja9621760, PII S0002786396021762
-
Jorgensen, W. L., Maxwell, D. S., and Tirado-Rives, J.: Development and testing of the OPLS all-atom force field on conforma-tional energetics and properties of organic liquids, J. Am. Chem. Soc., 118, 11225-11236, 1996. (Pubitemid 26399746)
-
(1996)
Journal of the American Chemical Society
, vol.118
, Issue.45
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
21
-
-
20344399932
-
Surface tension effects of humic-like substances in the aqueous extract of tropospheric fine aerosol
-
DOI 10.1007/s10874-005-5079-5
-
Kiss, G., Tombácz, E., and Hansson, H.-C.: Surface tension effects of humic-like substances in the aqueous extract of tropospheric fine aerosol, J. Atmos. Chem., 50, 279-294, 2005. (Pubitemid 40778804)
-
(2005)
Journal of Atmospheric Chemistry
, vol.50
, Issue.3
, pp. 279-294
-
-
Kiss, G.1
Tombacz, E.2
Hansson, H.-C.3
-
23
-
-
77749264304
-
Surface-active cis-pinonic acid in atmospheric droplets: A molecular dynamics study
-
Li, X., Hede, T., Tu, Y., Leck, C., and Agren, H.: Surface-active cis-pinonic acid in atmospheric droplets: a molecular dynamics study, J. Phys. Chem. Lett., 1, 769-773, 2010.
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 769-773
-
-
Li, X.1
Hede, T.2
Tu, Y.3
Leck, C.4
Agren, H.5
-
24
-
-
78751504505
-
Glycine in aerosol water droplets: A critical assessment of Köhler theory by predicting surface tension from molecular dynamics simulations
-
doi:10.5194/acp-11-519-2011
-
Li, X., Hede, T., Tu, Y., Leck, C., and Agren H.: Glycine in aerosol water droplets: A critical assessment of Köhler theory by predicting surface tension from molecular dynamics simulations, At-mos. Chem. Phys., 11, 519-527, doi:10.5194/acp-11-519-2011, 2011.
-
(2011)
At-mos. Chem. Phys.
, vol.11
, pp. 519-527
-
-
Li, X.1
Hede, T.2
Tu, Y.3
Leck, C.4
Agren, H.5
-
25
-
-
15544368017
-
The nucleus in and the growth of hygroscopic droplets
-
Köhler, H.: The nucleus in and the growth of hygroscopic droplets, T. Faraday Soc., 32, 1152-1161, 1936.
-
(1936)
T. Faraday Soc.
, vol.32
, pp. 1152-1161
-
-
Köhler, H.1
-
26
-
-
0001017618
-
Surface tensions of pure liquids and liquid mixtures
-
Meissner, H. P. and Michaels, A. S.: Surface tensions of pure liquids and liquid mixtures, Ind. Eng. Chem., 41, 2782-2787, 1949.
-
(1949)
Ind. Eng. Chem.
, vol.41
, pp. 2782-2787
-
-
Meissner, H.P.1
Michaels, A.S.2
-
27
-
-
36449005795
-
Molecular dynamics of the surface tension of a drop
-
Nijmeijer, M. J. P., Bruin, C., van Woerkom, A. B., and Bakker, A. F.: Molecular dynamics of the surface tension of a drop, J. Chem. Phys., 96, 565-576, 1992.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 565-576
-
-
Nijmeijer, M.J.P.1
Bruin, C.2
Van Woerkom, A.B.3
Bakker, A.F.4
-
28
-
-
0027790209
-
Large contribution of organic aerosols to cloud-condensation-nuclei concentrations
-
Novakov, T. and Penner, J. E.: Large contribution of organic aerosols to cloud condensation nuclei concentrations, Nature, 365, 823-826, 1993. (Pubitemid 24397740)
-
(1993)
Nature
, vol.365
, Issue.6449
, pp. 823-826
-
-
Novakov, T.1
Penner, J.E.2
-
29
-
-
0037041404
-
Atmospheric particles from organic vapours
-
DOI 10.1038/416497a
-
O'Dowd, C. D., Aalto, P., Hämeri, K., Kulmala, M., and Hoffmann, T.: Atmospheric particles from organic vapours, Nature, 416, 497-498, 2002. (Pubitemid 34288843)
-
(2002)
Nature
, vol.416
, Issue.6880
, pp. 497-498
-
-
O'Dowd, C.D.1
Aalto, P.2
Hameri, K.3
Kulmala, M.4
Hoffmann, T.5
-
30
-
-
0033575936
-
Clouds and climate
-
Rodhe, H.: Clouds and climate, Nature, 401, 223-224, 1999.
-
(1999)
Nature
, vol.401
, pp. 223-224
-
-
Rodhe, H.1
-
31
-
-
27244434424
-
Characterization of high molecular weight compounds in urban atmospheric particles
-
Samburova, V., Zenobi, R., and Kalberer, M.: Characterization of high molecular weight compounds in urban atmospheric particles, Atmos. Chem. Phys., 5, 2163-2170, doi:10.5194/acp-5-2163-2005, 2005. (Pubitemid 41520096)
-
(2005)
Atmospheric Chemistry and Physics
, vol.5
, Issue.8
, pp. 2163-2170
-
-
Samburova, V.1
Zenobi, R.2
Kalberer, M.3
-
32
-
-
77952415408
-
Prediction of absolute solvation free energies using molecular dynamics free energy perturbation and the OPLS force field
-
doi:10.1021/ct900587b
-
Shivakumar, D., Williams, J., Yujie, W., Damm, W., Shelley, J. and Sherman W.: Prediction of absolute solvation free energies using molecular dynamics free energy perturbation and the OPLS force field, J. Chem. Theory Comput., 6, 1509-1519, doi:10.1021/ct900587b, 2010.
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 1509-1519
-
-
Shivakumar, D.1
Williams, J.2
Yujie, W.3
Damm, W.4
Shelley, J.5
Sherman, W.6
-
33
-
-
0029749838
-
Dissolution behavior and surface tension effects of organic compounds in nucleating cloud droplets
-
Shulman, M. L., Jacobson, M. C., Charlson, R. J., Synovec, R. E., and Young, T. E.: Dissolution behavior and surface tension effects of organic compounds in nucleating cloud droplets, Geo-phys. Res. Lett., 23, 277-280, 1996.
-
(1996)
Geo-phys. Res. Lett.
, vol.23
, pp. 277-280
-
-
Shulman, M.L.1
Jacobson, M.C.2
Charlson, R.J.3
Synovec, R.E.4
Young, T.E.5
-
34
-
-
36248975150
-
-
version 4.0, available online at: last access: 15 November 2010
-
van der Spoel, D., Lindahl, E., Hess, B., van Buuren, A. R., Apol, E., Meulenhoff, P. J., Tieleman, D. P., Sijbers, A. L. T. M., Feen-stra, K. A., van Drunen, R., and Berendsen, H. J. C.: Gromacs User Manual version 4.0, available online at: www.gromacs.org, last access: 15 November 2010, 2005.
-
(2005)
Gromacs User Manual
-
-
Van Der Spoel, D.1
Lindahl, E.2
Hess, B.3
Van Buuren, A.R.4
Apol, E.5
Meulenhoff, P.J.6
Tieleman, D.P.7
Sijbers, A.L.T.M.8
Feen-Stra, K.A.9
Van Drunen, R.10
Berendsen, H.J.C.11
-
35
-
-
0000477064
-
Experimentelle studien über kapilläre eigen-schaften der wässrigen
-
Szyszkowski, B.: Experimentelle studien über kapilläre eigen-schaften der wässrigen, Z. Phys. Chem., 64, 385-414, 1908.
-
(1908)
Z. Phys. Chem.
, vol.64
, pp. 385-414
-
-
Szyszkowski, B.1
-
36
-
-
10844286504
-
The role of surfactants in Köhler theory reconsidered
-
Sorjamaa, R., Svenningsson, B., Raatikainen, T., Henning, S., Bilde, M., and Laaksonen, A.: The role of surfactants in Köhler theory reconsidered, Atmos. Chem. Phys., 4, 2107-2117, doi:10.5194/acp-4-2107-2004, 2004. (Pubitemid 40008486)
-
(2004)
Atmospheric Chemistry and Physics
, vol.4
, Issue.8
, pp. 2107-2117
-
-
Sorjamaa, R.1
Svenningsson, B.2
Raatikainen, T.3
Henning, S.4
Bilde, M.5
Laaksonen, A.6
-
37
-
-
0003604014
-
-
John Wiley & Sons Inc, New York, NY, USA
-
Tanford, C.: The Hydrophobic Effect: Formation of Micelles and Biological Membranes, John Wiley & Sons Inc, New York, NY, USA, 1973.
-
(1973)
The Hydrophobic Effect: Formation of Micelles and Biological Membranes
-
-
Tanford, C.1
-
38
-
-
7444259654
-
The surface tension of aqueous solutions of some atmospheric water-soluble organic compounds
-
DOI 10.1016/j.atmosenv.2004.08.005, PII S1352231004007265
-
Tuckermann, R. and Cammenga, H. K.: The surface tension of aqueous solutions of some atmospheric water-soluble organic compounds, Atmos. Environ., 38, 6135-6138, 2004. (Pubitemid 39445789)
-
(2004)
Atmospheric Environment
, vol.38
, Issue.36
, pp. 6135-6138
-
-
Tuckermann, R.1
Cammenga, H.K.2
-
39
-
-
34547961704
-
Surface tension of aqueous solutions of water-soluble organic and inorganic compounds
-
DOI 10.1016/j.atmosenv.2007.03.051, PII S1352231007003214
-
Tuckermann, R.: Surface tension of aqueous solutions of water-soluble organic and inorganic compounds, Atmos. Environ., 41, 6265-6275, 2007. (Pubitemid 47268185)
-
(2007)
Atmospheric Environment
, vol.41
, Issue.29
, pp. 6265-6275
-
-
Tuckermann, R.1
-
40
-
-
34548533278
-
Modelling the cloud condensation nucleus activity of organic acids on the basis of surface tension and osmolality measurements
-
Varga, Z., Kiss, G., and Hansson, H.-C.: Modelling the cloud condensation nucleus activity of organic acids on the basis of surface tension and osmolality measurements, Atmos. Chem. Phys., 7, 4601-4611, doi:10.5194/acp-7- 4601-2007, 2007. (Pubitemid 47384423)
-
(2007)
Atmospheric Chemistry and Physics
, vol.7
, Issue.17
, pp. 4601-4611
-
-
Varga, Z.1
Kiss, G.2
Hansson, H.-C.3
-
41
-
-
77957951337
-
An amorphous solid state of biogenic secondary organic aerosol particles
-
Virtanen, A., Joutsensaari, J., Koop, T., Kannosto, J., Yli-Pirilä, P., Leskinen, J., Mäkelä, J. M., Holopainen, J. K., Pöschl, U., Kul-mala, M., Worsnop, D. R., and Laaksonen, A.: An amorphous solid state of biogenic secondary organic aerosol particles, Nature, 467, 824-827, 2010.
-
(2010)
Nature
, vol.467
, pp. 824-827
-
-
Virtanen, A.1
Joutsensaari, J.2
Koop, T.3
Kannosto, J.4
Yli-Pirilä, P.5
Leskinen, J.6
Mäkelä, J.M.7
Holopainen, J.K.8
Pöschl, U.9
Kul-Mala, M.10
Worsnop, D.R.11
Laaksonen, A.12
-
42
-
-
0001060901
-
Surface tension of water droplets: A molecular dynamics study of model and size dependencies
-
Zakharov, V. V., Brodskaya, E. N., and Laaksonen, A.: Surface tension of water droplets: a molecular dynamics study of model and size dependencies, J. Chem. Phys., 107, 10675-10683, 1997. (Pubitemid 127627217)
-
(1997)
Journal of Chemical Physics
, vol.107
, Issue.24
, pp. 10675-10683
-
-
Zakharov, V.V.1
Brodskaya, E.N.2
Laaksonen, A.3
-
43
-
-
0001713953
-
Surface properties of water clusters: A molecular dynamics study
-
Zakharov, V. V., Brodskaya, E. N., and Laaksonen, A.: Surface properties of water clusters: a molecular dynamics study, Mol. Phys., 95, 203-208, 1998.
-
(1998)
Mol. Phys.
, vol.95
, pp. 203-208
-
-
Zakharov, V.V.1
Brodskaya, E.N.2
Laaksonen, A.3
|