-
1
-
-
41949138917
-
Atmospheric Polycyclic Aromatic Hydrocarbons: Source Attribution, Emission Factors and Regulation
-
Ravindra, K.; Sokhi, R.; Grieken, R. V. Atmospheric Polycyclic Aromatic Hydrocarbons: Source Attribution, Emission Factors and Regulation Atmos. Environ. 2008, 42, 2895-2921
-
(2008)
Atmos. Environ.
, vol.42
, pp. 2895-2921
-
-
Ravindra, K.1
Sokhi, R.2
Grieken, R.V.3
-
2
-
-
57949094426
-
Global Atmospheric Emission Inventory of Polycyclic Aromatic Hydrocarbons (PAHs) for 2004
-
Zhang, Y.; Tao, S. Global Atmospheric Emission Inventory of Polycyclic Aromatic Hydrocarbons (PAHs) for 2004 Atmos. Environ. 2009, 43, 812-819
-
(2009)
Atmos. Environ.
, vol.43
, pp. 812-819
-
-
Zhang, Y.1
Tao, S.2
-
3
-
-
0003440508
-
-
Agency for Toxic Substances and Disease Registry. U.S. Department of Health and Human Service, Public Health Service, Atlanta, GA.
-
Agency for Toxic Substances and Disease Registry. Toxicological Profile for Polycyclic Aromatic Hydrocarbons (PAHs); U.S. Department of Health and Human Service, Public Health Service, Atlanta, GA, 1995; www.atsdr.cdc.gov/ ToxProfile/tp69.pdf.
-
(1995)
Toxicological Profile for Polycyclic Aromatic Hydrocarbons (PAHs)
-
-
-
4
-
-
79961072852
-
Risk Assessment Related to Atmospheric Polycyclic Aromatic Hydrocarbons in Gas and Particle Phases near Industrial Sites
-
Ramirez, N.; Cuadras, A.; Rovira, E.; Marcé, R. M.; Borrull, F. Risk Assessment Related to Atmospheric Polycyclic Aromatic Hydrocarbons in Gas and Particle Phases near Industrial Sites Environ. Health Perspect. 2011, 119, 1110-1116
-
(2011)
Environ. Health Perspect.
, vol.119
, pp. 1110-1116
-
-
Ramirez, N.1
Cuadras, A.2
Rovira, E.3
Marcé, R.M.4
Borrull, F.5
-
6
-
-
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
-
7
-
-
33746921188
-
Uptake of gaseous aromatic hydrocarbons by non-growing ice crystals
-
DOI 10.1016/j.atmosenv.2006.03.055, PII S1352231006003700
-
Fries, E.; Haunold, W.; Jaeschke, W.; Hoog, I.; Mitra, S. K.; Borrmann, S. Uptake of Gaseous Aromatic Hydrocarbons by Non-Growing Ice Crystals Atmos. Environ. 2006, 40, 5476-5485 (Pubitemid 44190177)
-
(2006)
Atmospheric Environment
, vol.40
, Issue.28
, pp. 5476-5485
-
-
Fries, E.1
Haunold, W.2
Jaeschke, W.3
Hoog, I.4
Mitra, S.K.5
Borrmann, S.6
-
8
-
-
33847748203
-
Photolysis of polycyclic aromatic hydrocarbons on water and ice surfaces
-
DOI 10.1021/jp066660t
-
Kahan, T. F.; Donaldson, D. J. Photolysis of Polycyclic Aromatic Hydrocarbons on Water and Ice Surfaces J. Phys. Chem. A 2007, 111, 1277-1285 (Pubitemid 46384223)
-
(2007)
Journal of Physical Chemistry A
, vol.111
, Issue.7
, pp. 1277-1285
-
-
Kahan, T.F.1
Donaldson, D.J.2
-
9
-
-
62749123439
-
Uptake of Acetone, Ethanol and Benzene to Snow and Ice: Effects of Surface Area and Temperature
-
045008
-
Abbatt, J. P. D.; Bartels-Rausch, T.; Ullerstam, M.; Ye, T. J. Uptake of Acetone, Ethanol and Benzene to Snow and Ice: Effects of Surface Area and Temperature Environ. Res. Lett. 2008, 3 045008
-
(2008)
Environ. Res. Lett.
, vol.3
-
-
Abbatt, J.P.D.1
Bartels-Rausch, T.2
Ullerstam, M.3
Ye, T.J.4
-
10
-
-
80054688829
-
Self-Organization of 1-Methylnaphthalene on the Surface of Artificial Snow Grains: A Combined Experimental-Computational Approach
-
Heger, D.; Nachtigallová, D.; Surman, F.; Krausko, J.; Magyarová, B.; Brumovský, M.; Rubeš, M.; Gladich, I.; Klán, P. Self-Organization of 1-Methylnaphthalene on the Surface of Artificial Snow Grains: A Combined Experimental-Computational Approach J. Phys. Chem. A 2011, 115, 11412-11422
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 11412-11422
-
-
Heger, D.1
Nachtigallová, D.2
Surman, F.3
Krausko, J.4
Magyarová, B.5
Brumovský, M.6
Rubeš, M.7
Gladich, I.8
Klán, P.9
-
11
-
-
34548631470
-
Adsorption of phenanthrene on natural snow
-
DOI 10.1021/es0706798
-
Dominé, F.; Cincinelli, A.; Bonnaud, E.; Martellini, T.; Picaud, S. Adsorption of Phenanthrene on Natural Snow Environ. Sci. Technol. 2007, 41, 6033-6038 (Pubitemid 47398764)
-
(2007)
Environmental Science and Technology
, vol.41
, Issue.17
, pp. 6033-6038
-
-
Domine, F.1
Cincinelli, A.2
Bonnaud, E.3
Martellini, T.4
Picaud, S.5
-
12
-
-
34547952609
-
Laboratory studies on the uptake of aromatic hydrocarbons by ice crystals during vapor depositional crystal growth
-
DOI 10.1016/j.atmosenv.2007.04.028, PII S1352231007003391
-
Fries, E.; Starokozhev, E.; Haunold, W.; Jaeschke, W.; Mitra, S. K.; Borrmann, S.; Schmidt, M. U. Laboratory Studies on the Uptake of Aromatic Hydrocarbons by Icy Crystals during Vapor Depositional Crystal Growth Atmos. Environ. 2007, 41, 6156-6166 (Pubitemid 47268192)
-
(2007)
Atmospheric Environment
, vol.41
, Issue.29
, pp. 6156-6166
-
-
Fries, E.1
Starokozhev, E.2
Haunold, W.3
Jaeschke, W.4
Mitra, S.K.5
Borrmann, S.6
Schmidt, M.U.7
-
14
-
-
67649534570
-
Self-Association of Naphthalene at the Air-Ice Interface
-
Ardura, D.; Kahan, T. F.; Donaldson, D. J. Self-Association of Naphthalene at the Air-Ice Interface J. Phys. Chem. A 2009, 113, 7353-7359
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 7353-7359
-
-
Ardura, D.1
Kahan, T.F.2
Donaldson, D.J.3
-
15
-
-
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
-
16
-
-
80051912101
-
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. 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
-
17
-
-
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
-
18
-
-
33744713394
-
Grand Canonical Ensemble Monte Carlo for a Lennard-Jones Fluid
-
Adams, D. J. Grand Canonical Ensemble Monte Carlo for a Lennard-Jones Fluid Mol. Phys. 1975, 29, 307-311
-
(1975)
Mol. Phys.
, vol.29
, pp. 307-311
-
-
Adams, D.J.1
-
19
-
-
0037461001
-
Water Adsorption on Hydrophilic Mesoporous and Place Silica Substrates: A Grand Canonical Monte Carlo Simulation Study
-
Puibasset, J.; Pellenq, R. J. M. Water Adsorption on Hydrophilic Mesoporous and Place Silica Substrates: A Grand Canonical Monte Carlo Simulation Study J. Chem. Phys. 2003, 118, 5613-5622
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 5613-5622
-
-
Puibasset, J.1
Pellenq, R.J.M.2
-
20
-
-
22944453089
-
Water Adsorption in Disordered Mesoporous Silica (Vycor) at 300 and 650 K: A Grand Canonical Monte Carlo Simulation Study of Hysteresis
-
Puibasset, J.; Pellenq, R. J. M. Water Adsorption in Disordered Mesoporous Silica (Vycor) at 300 and 650 K: A Grand Canonical Monte Carlo Simulation Study of Hysteresis J. Chem. Phys. 2005, 122, 094704-1-10
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 0947041-09470410
-
-
Puibasset, J.1
Pellenq, R.J.M.2
-
22
-
-
55949118075
-
Adsorption and Structure of Water on Kaolinite Surfaces: Possible Insight into Ice Nucleation from Grand Canonical Monte Carlo Calculations
-
Croteau, T.; Bertram, A. K.; Patey, G. N. Adsorption and Structure of Water on Kaolinite Surfaces: Possible Insight into Ice Nucleation from Grand Canonical Monte Carlo Calculations J. Phys. Chem. A 2008, 112, 10708-10712
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 10708-10712
-
-
Croteau, T.1
Bertram, A.K.2
Patey, G.N.3
-
23
-
-
67649880681
-
Simulation of Water Adsorption on Kaolinite under Atmospheric Conditions
-
Croteau, T.; Bertram, A. K.; Patey, G. N. Simulation of Water Adsorption on Kaolinite under Atmospheric Conditions J. Phys. Chem. A 2009, 113, 7826-7833
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 7826-7833
-
-
Croteau, T.1
Bertram, A.K.2
Patey, G.N.3
-
24
-
-
71549146591
-
Water in Contact with Magnetite Nanoparticles, as Seen from Experiments and Computer Simulations
-
Tombácz, E.; Hajdú, A.; Illés, E.; László, K.; Garberoglio, G.; Jedlovszky, P. Water in Contact with Magnetite Nanoparticles, as Seen from Experiments and Computer Simulations Langmuir 2009, 25, 13007-13014
-
(2009)
Langmuir
, vol.25
, pp. 13007-13014
-
-
Tombácz, E.1
Hajdú, A.2
Illés, E.3
László, K.4
Garberoglio, G.5
Jedlovszky, P.6
-
25
-
-
33845220579
-
Determination of the adsorption isotherm of methanol on the surface of ice. An experimental and Grand Canonical Monte Carlo simulation study
-
DOI 10.1021/ja065553+
-
Jedlovszky, P.; Partay, L.; Hoang, P. N. M.; Picaud, S.; von Hessberg, P.; Crowley, J. N. Determination of the Adsorption Isotherm of Methanol on the Surface of Ice. An Experimental and Grand Canonical Monte Carlo Simulation Study J. Am. Chem. Soc. 2006, 128, 15300-15309 (Pubitemid 44853541)
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.47
, pp. 15300-15309
-
-
Jedlovszky, P.1
Partay, L.2
Hoang, P.N.M.3
Picaud, S.4
Von Hessberg, P.5
Crowley, J.N.6
-
26
-
-
35148870173
-
Calculation of the adsorption isotherm of formaldehyde on ice by grand canonical Monte Carlo simulation
-
DOI 10.1021/jp0742564
-
Hantal, Gy.; Jedlovszky, P.; Hoang, P. N. M.; Picaud, S. Calculation of the Adsorption Isotherm of Formaldehyde on Ice by Grand Canonical Monte Carlo Simulation J. Phys. Chem. C 2007, 111, 14170-14178 (Pubitemid 47548409)
-
(2007)
Journal of Physical Chemistry C
, vol.111
, Issue.38
, pp. 14170-14178
-
-
Hantal, G.1
Jedlovszky, P.2
Hoang, P.N.M.3
Picaud, S.4
-
27
-
-
53549130261
-
Adsorption Isotherm of Formic Acid on the Surface of Ice, as Seen from Experiments and Grand Canonical Monte Carlo Simulation
-
Jedlovszky, P.; Hantal, Gy.; Neuróhr, K.; Picaud, S.; Hoang, P. N. M.; von Hessberg, P.; Crowley, J. N. Adsorption Isotherm of Formic Acid on the Surface of Ice, as Seen from Experiments and Grand Canonical Monte Carlo Simulation J. Phys. Chem. C 2008, 112, 8976-8987
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 8976-8987
-
-
Jedlovszky, P.1
Hantal, Gy.2
Neuróhr, K.3
Picaud, S.4
Hoang, P.N.M.5
Von Hessberg, P.6
Crowley, J.N.7
-
28
-
-
55149114656
-
Investigation of the Adsorption Behavior of Acetone at the Surface of Ice: A Grand Canonical Monte Carlo Simulation Study
-
Hantal, Gy.; Jedlovszky, P.; Hoang, P. N. M.; Picaud, S. Investigation of the Adsorption Behavior of Acetone at the Surface of Ice: A Grand Canonical Monte Carlo Simulation Study Phys. Chem. Chem. Phys. 2008, 10, 6369-6380
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 6369-6380
-
-
Hantal, Gy.1
Jedlovszky, P.2
Hoang, P.N.M.3
Picaud, S.4
-
29
-
-
78650336922
-
Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation
-
Petitjean, M.; Hantal, Gy.; Chauvin, C.; Mirabel, P.; Le Calvé, S.; Hoang, P. N. M.; Picaud, S.; Jedlovszky, P. Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation Langmuir 2010, 26, 9596-9606
-
(2010)
Langmuir
, vol.26
, pp. 9596-9606
-
-
Petitjean, M.1
Hantal, Gy.2
Chauvin, C.3
Mirabel, P.4
Le Calvé, S.5
Hoang, P.N.M.6
Picaud, S.7
Jedlovszky, P.8
-
30
-
-
84857890176
-
Adsorption of Acetaldehyde on Ice as Seen from Computer Simulation and Infrared Spectroscopy Measurements
-
Darvas, M.; Lasne, J.; Laffon, C.; Parent, P.; Picaud, S.; Jedlovszky, P. Adsorption of Acetaldehyde on Ice as Seen from Computer Simulation and Infrared Spectroscopy Measurements Langmuir 2012, 28, 4198-4207
-
(2012)
Langmuir
, vol.28
, pp. 4198-4207
-
-
Darvas, M.1
Lasne, J.2
Laffon, C.3
Parent, P.4
Picaud, S.5
Jedlovszky, P.6
-
31
-
-
33846044042
-
Grand canonical Monte Carlo simulation study on the catenation effect on hydrogen adsorption onto the interpenetrating metal-organic frameworks
-
DOI 10.1021/jp065819z
-
Jung, D. H.; Kim, D.; Lee, T. B.; Choi, S. B.; Yoon, J. H.; Kim, J.; Choi, K.; Choi, S. H. Grand Canonical Monte Carlo Simulation Study on the Catenation Effect on Hydrogen Adsorption onto the Interpenetrating Metal-Organic Frameworks J. Phys. Chem. B 2006, 110, 22987-22990 (Pubitemid 46063815)
-
(2006)
Journal of Physical Chemistry B
, vol.110
, Issue.46
, pp. 22987-22990
-
-
Jung, D.H.1
Kim, D.2
Lee, T.B.3
Choi, S.B.4
Yoon, J.H.5
Kim, J.6
Choi, K.7
Choi, S.-H.8
-
32
-
-
36649008713
-
Computer simulation of the adsorption of light gases in covalent organic frameworks
-
DOI 10.1021/la701736m
-
Garberoglio, G. Computer Simulation of the Adsorption of Light Gases in Covalent Organic Frameworks Langmuir 2007, 23, 12154-12158 (Pubitemid 350197385)
-
(2007)
Langmuir
, vol.23
, Issue.24
, pp. 12154-12158
-
-
Garberoglio, G.1
-
33
-
-
36649001338
-
2 in metal organic frameworks of different metal centres: Grand Canonical Monte Carlo simulations compared to experiments
-
DOI 10.1007/s10450-007-9025-5
-
2 in Metal Organic Frameworks of Different Metal Centres: Grand Canonical Monte Carlo Simulations Compared to Experiments Adsorption 2007, 13, 461-467 (Pubitemid 350197831)
-
(2007)
Adsorption
, vol.13
, Issue.5-6
, pp. 461-467
-
-
Ramsahye, N.A.1
Maurin, G.2
Bourrelly, S.3
Llewellyn, P.L.4
Devic, T.5
Serre, C.6
Loiseau, T.7
Ferey, G.8
-
34
-
-
33751132212
-
Adsorption of water on activated carbons: A molecular simulation study
-
Muller, E. A.; Rull, L. F.; Vega, L. F.; Gubbins, K. E. Adsorption of Water on Activated Carbons: A Molecular Dynamics Study J. Phys. Chem. 1996, 100, 1189-1196 (Pubitemid 126835013)
-
(1996)
Journal of Physical Chemistry
, vol.100
, Issue.4
, pp. 1189-1196
-
-
Muller, E.A.1
Rull, L.F.2
Vega, L.F.3
Gubbins, K.E.4
-
35
-
-
0000380043
-
2 isotherm data
-
2 Isotherm Data Langmuir 1997, 13, 2795-2802 (Pubitemid 127648909)
-
(1997)
Langmuir
, vol.13
, Issue.10
, pp. 2795-2802
-
-
Samios, S.1
Stubos, A.K.2
Kanellopoulos, N.K.3
Cracknell, R.F.4
Papadopoulos, G.K.5
Nicholson, D.6
-
36
-
-
0342572458
-
Adsorption of Water Vapor-Methane Mixtures on Activated Carbons
-
Muller, E. A.; Hung, F. R.; Gubbins, K. E. Adsorption of Water Vapor-Methane Mixtures on Activated Carbons Langmuir 2000, 16, 5418-5424
-
(2000)
Langmuir
, vol.16
, pp. 5418-5424
-
-
Muller, E.A.1
Hung, F.R.2
Gubbins, K.E.3
-
37
-
-
0037039344
-
Adsorption and separation of hydrogen isotopes in carbon nanotubes: Multicomponent grand canonical Monte Carlo simulations
-
DOI 10.1063/1.1423665
-
Challa, S. R.; Sholl, D. S.; Johnson, J. K. Adsorption and Separation of Hydrogen Isotopes in Carbon Nanotubes: Multicomponent Grand Canonical Monte Carlo Simulations J. Chem. Phys. 2002, 116, 814-824 (Pubitemid 34064611)
-
(2002)
Journal of Chemical Physics
, vol.116
, Issue.2
, pp. 814-824
-
-
Challa, S.R.1
Sholl, D.S.2
Johnson, J.K.3
-
38
-
-
23744457494
-
Water in Carbon Nanotubes: Adsorption Isotherms and Thermodynamic Properties from Molecular Simulation
-
234712
-
Striolo, A.; Chialvo, A. A.; Gubbins, K. E.; Cummings, P. T. Water in Carbon Nanotubes: Adsorption Isotherms and Thermodynamic Properties from Molecular Simulation J. Chem. Phys. 2005, 122 234712
-
(2005)
J. Chem. Phys.
, vol.122
-
-
Striolo, A.1
Chialvo, A.A.2
Gubbins, K.E.3
Cummings, P.T.4
-
39
-
-
33748772242
-
A grand canonical Monte-Carlo simulation study of water adsorption on a model soot particle
-
DOI 10.1080/08927020600622048, PII P103773651G33611
-
Moulin, F.; Picaud, S.; Hoang, P. N. M.; Pártay, L. B.; Jedlovszky, P. A Grand Canonical Monte Carlo Simulation Study of Water Adsorption on a Model Soot Particle Mol. Simul. 2006, 32, 487-493 (Pubitemid 44410475)
-
(2006)
Molecular Simulation
, vol.32
, Issue.7
, pp. 487-493
-
-
Moulin, F.1
Picaud, S.2
Hoang, P.N.M.3
Partay, L.4
Jedlovszky, P.5
-
40
-
-
36148946464
-
Grand Canonical Monte Carlo Simulation of the Adsorption Isotherms of Water Molecules on a Model Soot Particle
-
164719
-
Moulin, F.; Picaud, S.; Hoang, P. N. M.; Jedlovszky, P. Grand Canonical Monte Carlo Simulation of the Adsorption Isotherms of Water Molecules on a Model Soot Particle J. Chem. Phys. 2007, 127 164719
-
(2007)
J. Chem. Phys.
, vol.127
-
-
Moulin, F.1
Picaud, S.2
Hoang, P.N.M.3
Jedlovszky, P.4
-
41
-
-
77958095600
-
Water Adsorption Isotherms on Porous Onionlike Carbonaceous Particles: Simulations with the Grand Canonical Monte Carlo Method
-
144702
-
Hantal, Gy.; Picaud, S.; Hoang, P. N. M.; Voloshin, V. P.; Medvedev, N. N.; Jedlovszky, P. Water Adsorption Isotherms on Porous Onionlike Carbonaceous Particles: Simulations with the Grand Canonical Monte Carlo Method J. Chem. Phys. 2010, 133 144702
-
(2010)
J. Chem. Phys.
, vol.133
-
-
Hantal, Gy.1
Picaud, S.2
Hoang, P.N.M.3
Voloshin, V.P.4
Medvedev, N.N.5
Jedlovszky, P.6
-
42
-
-
84871340891
-
2 Gravimetric Storage Capacity in Truncated Carbon Slit Pores Modeled by Grand Canonical Monte Carlo
-
2 Gravimetric Storage Capacity in Truncated Carbon Slit Pores Modeled by Grand Canonical Monte Carlo Carbon 2013, 53, 208-215
-
(2013)
Carbon
, vol.53
, pp. 208-215
-
-
Firlej, L.1
Kuchta, B.2
Lazarewicz, A.3
Pfeifer, P.4
-
43
-
-
77951819906
-
Water Adsorption on Hydrophilic and Hydrophobic Self-Assembled Monolayers as Proxies for Atmospheric Surfaces. A Grand Canonical Monte Carlo Simulation Study
-
Szori, M.; Jedlovszky, P.; Roeselová, M. Water Adsorption on Hydrophilic and Hydrophobic Self-Assembled Monolayers as Proxies for Atmospheric Surfaces. A Grand Canonical Monte Carlo Simulation Study Phys. Chem. Chem. Phys. 2010, 12, 4604-4616
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 4604-4616
-
-
Szori, M.1
Jedlovszky, P.2
Roeselová, M.3
-
45
-
-
0001120964
-
Grand canonical Monte Carlo simulation of water positions in crystal hydrates
-
Resat, H.; Mezei, M. Grand Canonical Monte Carlo Simulation of Water Positions in Crystal Hydrates J. Am. Chem. Soc. 1994, 116, 7451-7452 (Pubitemid 24981460)
-
(1994)
Journal of the American Chemical Society
, vol.116
, Issue.16
, pp. 7451-7452
-
-
Resat, H.1
Mezei, M.2
-
46
-
-
50349088130
-
Molecular Simulation Study of Intercalation of Small Molecules in Kaolinite
-
Rutkai, G.; Kristóf, T. Molecular Simulation Study of Intercalation of Small Molecules in Kaolinite Chem. Phys. Lett. 2008, 462, 269-274
-
(2008)
Chem. Phys. Lett.
, vol.462
, pp. 269-274
-
-
Rutkai, G.1
Kristóf, T.2
-
47
-
-
0000719759
-
Grand Canonical Monte Carlo Simulations of the Distribution and Chemical Shifts of Xenon in the Cages of Zeolite NaA. 1. Distribution and Xe-129 Chemical Shifts
-
Jameson, C. J.; Jameson, K.; Baello, B. I.; Lim, H. M. Grand Canonical Monte Carlo Simulations of the Distribution and Chemical Shifts of Xenon in the Cages of Zeolite NaA. 1. Distribution and Xe-129 Chemical Shifts J. Chem. Phys. 1994, 100, 5965-5976
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5965-5976
-
-
Jameson, C.J.1
Jameson, K.2
Baello, B.I.3
Lim, H.M.4
-
48
-
-
36448999106
-
Grand Canonical Monte Carlo Simulations of the Distribution and Chemical Shifts of Xenon in the Cages of Zeolite NaA. 2. Structure of the Adsorbed Fluid
-
Jameson, C. J.; Jameson, K.; Lim, H. M.; Baello, B. I. Grand Canonical Monte Carlo Simulations of the Distribution and Chemical Shifts of Xenon in the Cages of Zeolite NaA. 2. Structure of the Adsorbed Fluid J. Chem. Phys. 1994, 100, 5977-5987
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5977-5987
-
-
Jameson, C.J.1
Jameson, K.2
Lim, H.M.3
Baello, B.I.4
-
49
-
-
0000924722
-
Grand Canonical Monte Carlo Simulations of Chain Molecules: Adsorption Isotherms of Alkanes in Zeolites
-
Smit, B. Grand Canonical Monte Carlo Simulations of Chain Molecules: Adsorption Isotherms of Alkanes in Zeolites Mol. Phys. 1995, 85, 153-172
-
(1995)
Mol. Phys.
, vol.85
, pp. 153-172
-
-
Smit, B.1
-
50
-
-
1842456529
-
Grand canonical Monte Carlo simulations of adsorption of polar and nonpolar molecules in NaY zeolite
-
Pellenq, R. J. M.; Tavitian, B.; Espinat, D.; Fuchs, A. H. Grand Canonical Monte Carlo Simulations of Adsorption of Polar and Nonpolar Molecules in NaY Zeolite Langmuir 1996, 12, 4768-4783 (Pubitemid 126568008)
-
(1996)
Langmuir
, vol.12
, Issue.20
, pp. 4768-4783
-
-
Pellenq, R.J.-M.1
Tavitian, B.2
Espinat, D.3
Fuchs, A.H.4
-
51
-
-
0033150511
-
Pure and binary component sorption equilibria of light hydrocarbons in the zeolite silicalite from grand canonical Monte Carlo simulations
-
DOI 10.1016/S0378-3812(99)00081-3, PII S0378381299000813
-
Macedonia, M. D.; Maginn, E. J. Pure and Binary Component Sorption Equilibria of Light Hydrocarbons in the Zeolite Silicalite from Grand Canonical Monte Carlo Simulations Fluid Phase Equilib. 1999, 158-160, 19-27 (Pubitemid 29333460)
-
(1999)
Fluid Phase Equilibria
, vol.158-160
, pp. 19-27
-
-
Macedonia, M.D.1
Maginn, E.J.2
-
52
-
-
33750508317
-
Prediction of adsorption equilibria of water-methanol mixtures in zeolite NaA by molecular simulation
-
DOI 10.1080/08927020600934179, PII U8775822U14P2532
-
Rutkai, G.; Csányi, é.; Kristóf, T. Prediction of Adsorption Equilibria of Water-Methanol Mixtures in Zeolite NaA by Molecular Simulation Mol. Simul. 2006, 32, 869-875 (Pubitemid 44664070)
-
(2006)
Molecular Simulation
, vol.32
, Issue.10-11
, pp. 869-875
-
-
Kristof, T.1
Csanyi, E.2
Rutkai, G.3
Merenyi, L.4
-
53
-
-
45449117665
-
Prediction of Adsorption and Separation of Water-Alcohol Mixtures with Zeolite NaA
-
Kristóf, T.; Csányi, é.; Rutkai, G. Prediction of Adsorption and Separation of Water-Alcohol Mixtures with Zeolite NaA Microporous Mesoporous Mater. 2008, 114, 455-464
-
(2008)
Microporous Mesoporous Mater.
, vol.114
, pp. 455-464
-
-
Kristóf, T.1
Csányi, É.2
Rutkai, G.3
-
54
-
-
0000020246
-
A Five-Site Model for Liquid Water and the Reproduction of the Density Anomaly by Rigid, Nonpolarizable Potential Functions
-
Mahoney, M.; Jorgensen, W. L. A Five-Site Model for Liquid Water and the Reproduction of the Density Anomaly by Rigid, Nonpolarizable Potential Functions J. Chem. Phys. 2000, 112, 8910-8922
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 8910-8922
-
-
Mahoney, M.1
Jorgensen, W.L.2
-
55
-
-
18744375794
-
The Melting Temperature of the Most Commun Models of Water
-
114507
-
Vega, C.; Sanz, E.; Abascal, J. L. F. The Melting Temperature of the Most Commun Models of Water J. Chem. Phys. 2005, 122 114507
-
(2005)
J. Chem. Phys.
, vol.122
-
-
Vega, C.1
Sanz, E.2
Abascal, J.L.F.3
-
56
-
-
33749335353
-
Adsorption of Polycyclic Aromatic Hydrocarbons at the Air-Water Interface: Molecular Dynamics Simulations and Experimental Atmospheric Observations
-
Vácha, R.; Jungwirth, P.; Chenb, J.; Valsaraj, K. 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
-
-
Vácha, R.1
Jungwirth, P.2
Chenb, J.3
Valsaraj, K.4
-
57
-
-
84875851389
-
-
http://marge.uochb.cas.cz/∼vacha/downloade.htm.
-
-
-
-
58
-
-
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
-
60
-
-
0001639045
-
A Cavity-Biased (T, V, μ) Monte Carlo Method for the Computer-Simulation of Fluids
-
Mezei, M. A Cavity-Biased (T, V, μ) Monte Carlo Method for the Computer-Simulation of Fluids Mol. Phys. 1980, 40, 901-906
-
(1980)
Mol. Phys.
, vol.40
, pp. 901-906
-
-
Mezei, M.1
-
61
-
-
84893016902
-
Grand Canonical Ensemble Monte Carlo Study of Dense Liquid Lennard-Jones, Soft Spheres and Water
-
Mezei, M. Grand Canonical Ensemble Monte Carlo Study of Dense Liquid Lennard-Jones, Soft Spheres and Water Mol. Phys. 1987, 61, 565-582
-
(1987)
Mol. Phys.
, vol.61
, pp. 565-582
-
-
Mezei, M.1
-
62
-
-
84875846150
-
-
1989, 67, 1207-1208. (erratum)
-
1989, 67, 1207-1208. (erratum)
-
-
-
-
63
-
-
4043158815
-
The Constitution and Fundamental Properties of Solids and Liquids. Part I: Solids
-
Langmuir, I. The Constitution and Fundamental Properties of Solids and Liquids. Part I: Solids J. Am. Chem. Soc. 1916, 38, 2221-2295
-
(1916)
J. Am. Chem. Soc.
, vol.38
, pp. 2221-2295
-
-
Langmuir, I.1
-
65
-
-
0343311582
-
The Voronoi Tessalation Generated from Different Distributions of Seeds
-
Zaninetti, L. The Voronoi Tessalation Generated from Different Distributions of Seeds Phys. Lett. A 1992, 165, 143-147
-
(1992)
Phys. Lett. A
, vol.165
, pp. 143-147
-
-
Zaninetti, L.1
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