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Items: 1 to 20 of 102

1.

Adsorption of Formamide at the Surface of Amorphous and Crystalline Ices under Interstellar and Tropospheric Conditions. A Grand Canonical Monte Carlo Simulation Study.

Kiss B, Picaud S, Szőri M, Jedlovszky P.

J Phys Chem A. 2019 Apr 4;123(13):2935-2948. doi: 10.1021/acs.jpca.9b00850. Epub 2019 Mar 20.

PMID:
30839213
2.

Adsorption of Methylamine on Amorphous Ice under Interstellar Conditions. A Grand Canonical Monte Carlo Simulation Study.

Horváth RA, Hantal G, Picaud S, Szőri M, Jedlovszky P.

J Phys Chem A. 2018 Apr 5;122(13):3398-3412. doi: 10.1021/acs.jpca.8b01591. Epub 2018 Mar 23.

PMID:
29537265
3.

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.

Langmuir. 2012 Mar 6;28(9):4198-207. doi: 10.1021/la204472k. Epub 2012 Feb 23.

PMID:
22320190
4.

Determination of the adsorption isotherm of methanol on the surface of ice. An experimental and grand canonical Monte Carlo simulation study.

Jedlovszky P, Pártay L, Hoang PN, Picaud S, von Hessberg P, Crowley JN.

J Am Chem Soc. 2006 Nov 29;128(47):15300-9.

PMID:
17117883
5.

Adsorption of benzaldehyde at the surface of ice, studied by experimental method and computer simulation.

Petitjean M, Hantal G, Chauvin C, Mirabel P, Le Calvé S, Hoang PN, Picaud S, Jedlovszky P.

Langmuir. 2010 Jun 15;26(12):9596-606. doi: 10.1021/la100169h.

PMID:
20329716
6.

Adsorption and structure of water on kaolinite surfaces: possible insight into ice nucleation from grand canonical monte carlo calculations.

Croteau T, Bertram AK, Patey GN.

J Phys Chem A. 2008 Oct 30;112(43):10708-12. doi: 10.1021/jp805615q. Epub 2008 Sep 11.

PMID:
18785690
7.

Investigation of the adsorption behaviour of acetone at the surface of ice. A grand canonical Monte Carlo simulation study.

Hantal G, Jedlovszky P, Hoang PN, Picaud S.

Phys Chem Chem Phys. 2008 Nov 14;10(42):6369-80. doi: 10.1039/b808466a. Epub 2008 Sep 8.

PMID:
18972025
8.

Adsorption of PAHs on interstellar ice viewed by classical molecular dynamics.

Michoulier E, Noble JA, Simon A, Mascetti J, Toubin C.

Phys Chem Chem Phys. 2018 Mar 28;20(13):8753-8764. doi: 10.1039/c8cp00593a. Erratum in: Phys Chem Chem Phys. 2018 Apr 6;:.

PMID:
29541718
9.

Thermal conductivity of normal and deuterated water, crystalline ice, and amorphous ices.

Andersson O.

J Chem Phys. 2018 Sep 28;149(12):124506. doi: 10.1063/1.5050172.

PMID:
30278676
10.

Sticking of CO to crystalline and amorphous ice surfaces.

Al-Halabi A, van Dishoeck EF, Kroes GJ.

J Chem Phys. 2004 Feb 15;120(7):3358-67.

PMID:
15268490
11.

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.

Phys Chem Chem Phys. 2010 May 14;12(18):4604-16. doi: 10.1039/b923382b. Epub 2010 Mar 16.

PMID:
20428540
12.

Simulation of water adsorption on kaolinite under atmospheric conditions.

Croteau T, Bertram AK, Patey GN.

J Phys Chem A. 2009 Jul 9;113(27):7826-33. doi: 10.1021/jp902453f.

PMID:
19514713
13.

Adsorption of octyl cyanide at the free water surface as studied by Monte Carlo simulation.

Jedlovszky P, Pártay LB.

J Phys Chem B. 2007 May 31;111(21):5885-95. Epub 2007 May 8.

PMID:
17487997
14.

Experimental and theoretical investigation of HC5N adsorption on amorphous ice surface: simulation of the interstellar chemistry.

Coupeaud A, Piétri N, Allouche A, Aycard JP, Couturier-Tamburelli I.

J Phys Chem A. 2008 Sep 4;112(35):8024-9. doi: 10.1021/jp803524q. Epub 2008 Aug 13.

PMID:
18698749
15.

Grand canonical monte carlo simulation study of water adsorption in silicalite at 300 K.

Puibasset J, Pellenq RJ.

J Phys Chem B. 2008 May 22;112(20):6390-7. doi: 10.1021/jp7097153. Epub 2008 Apr 24.

PMID:
18433164
16.

Comparative Study of Water Adsorption on a H(+) and K(+) Ion Exposed Mica Surface: Monte Carlo Simulation Study.

Debbarma R, Malani A.

Langmuir. 2016 Feb 2;32(4):1034-46. doi: 10.1021/acs.langmuir.5b04131. Epub 2016 Jan 19.

PMID:
26727708
17.

Thermal processing of formamide ices on silicate grain analogue.

Dawley MM, Pirim C, Orlando TM.

J Phys Chem A. 2014 Feb 20;118(7):1220-7. doi: 10.1021/jp404026s. Epub 2014 Feb 7.

PMID:
24460066
18.

Kinetic Monte Carlo simulations of water ice porosity: extrapolations of deposition parameters from the laboratory to interstellar space.

Clements AR, Berk B, Cooke IR, Garrod RT.

Phys Chem Chem Phys. 2018 Feb 21;20(8):5553-5568. doi: 10.1039/c7cp05966c.

PMID:
29387847
19.

Molecular dynamics simulation of the adsorption of oxalic acid on an ice surface.

Darvas M, Picaud S, Jedlovszky P.

Chemphyschem. 2010 Dec 17;11(18):3971-9. doi: 10.1002/cphc.201000513.

PMID:
20830727
20.

The role of tropospheric ice surfaces in the elimination of the CFC substitute, trifluoroethanol.

Moreno E, Aranda A, Díaz-de-Mera Y, Martínez E, Bravo I, Rodríguez A.

Phys Chem Chem Phys. 2012 Apr 7;14(13):4425-32. doi: 10.1039/c2cp23553f. Epub 2012 Feb 24.

PMID:
22361877

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