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Loisruangsin, A., Fritzsche, S., Hannongbua, S. (2008) An alternative approach for ab initio fitted potentials: The n-pentane/silicalite-1 system. Chemical Physics, 344. 1-12 doi:10.1016/j.chemphys.2007.10.036

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Reference TypeJournal (article/letter/editorial)
TitleAn alternative approach for ab initio fitted potentials: The n-pentane/silicalite-1 system
JournalChemical Physics
AuthorsLoisruangsin, A.Author
Fritzsche, S.Author
Hannongbua, S.Author
Year2008 (February)Volume344
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.10.036Search in ResearchGate
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Mindat Ref. ID5961420Long-form Identifiermindat:1:5:5961420:3
GUID0
Full ReferenceLoisruangsin, A., Fritzsche, S., Hannongbua, S. (2008) An alternative approach for ab initio fitted potentials: The n-pentane/silicalite-1 system. Chemical Physics, 344. 1-12 doi:10.1016/j.chemphys.2007.10.036
Plain TextLoisruangsin, A., Fritzsche, S., Hannongbua, S. (2008) An alternative approach for ab initio fitted potentials: The n-pentane/silicalite-1 system. Chemical Physics, 344. 1-12 doi:10.1016/j.chemphys.2007.10.036
In(n.d.) Chemical Physics Vol. 344. Elsevier BV

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Loisruangsin, A, Fritzsche, S, Hannongbua, S (2004) Newly developed ab initio fitted potentials for molecular dynamics simulations of n-pentane in the zeolite silicalite-1. Chemical Physics Letters, 390. 485-490 doi:10.1016/j.cplett.2004.04.067
Bussai, C., Hannongbua, S., Fritzsche, S., Haberlandt, R. (2002) Ab initio potential energy surface and molecular dynamics simulations for the determination of the diffusion coefficient of water in silicalite-1. Chemical Physics Letters, 354. 310-315 doi:10.1016/s0009-2614(02)00126-4
Saengsawang, O., Schüring, A., Remsungnen, T., Hannongbua, S., Newsome, D.A., Dammers, A.J., Coppens, M.O., Fritzsche, S. (2010) Diffusion of n-pentane in the zeolite ZK5 studied by high-temperature configuration-space exploration. Chemical Physics, 368. 121-125 doi:10.1016/j.chemphys.2010.01.010
Remsungnen, T., Kormilets, V., Loisruangsin, A., Schüring, A., Fritzsche, S., Haberlandt, R., Hannongbua, S. (2006) Optimal Binding Site of a Methane Molecule on the Silanol Covered (010) Surface of Silicalite-1:  ONIOM Calculations. The Journal of Physical Chemistry B, 110 (24). 11932-11935 doi:10.1021/jp0621326
Fritzsche, S., Osotchan, T., Schüring, A., Hannongbua, S., Kärger, J. (2005) Is there a coupling between rotational and translational motion of methane in silicalite-1 and AlPO4-5?. Chemical Physics Letters, 411. 423-428 doi:10.1016/j.cplett.2005.06.067
Saengsawang, Oraphan, Schüring, Andreas, Remsungnen, Tawun, Loisruangsin, Arthorn, Hannongbua, Supot, Magusin, Pieter C. M. M., Fritzsche, Siegfried (2008) Rotational Motion of Pentane in the Flat γ Cages of Zeolite KFI. The Journal of Physical Chemistry C, 112 (15). 5922-5929 doi:10.1021/jp075899m
Saengsawang, O., Remsungnen, T., Fritzsche, S., Haberlandt, R., Hannongbua, S. (2005) Structure and Energetics of Water−Silanol Binding on the Surface of Silicalite-1:  Quantum Chemical Calculations. The Journal of Physical Chemistry B, 109 (12). 5684-5690 doi:10.1021/jp0452296
Tolosa Arroyo, S., Hidalgo Garcia, A., Sansón Martín, J.A. (2008) Calculation of free-energy curves for the study of hydrolysis reactions in aqueous solution from ab initio potentials and molecular dynamics simulation. Chemical Physics, 353. 73-78 doi:10.1016/j.chemphys.2008.07.023
Bussai, C., Fritzsche, S., Haberlandt, R., Hannongbua, S. (2005) Concentration Dependence of the Methane Structure in Silicalite-1:  A Molecular Dynamics Study Using the Møller−Plesset-Based Potential. Langmuir, 21. 5847-5851 doi:10.1021/la046845w
Hoffman, Gerald J. (2009) Ab initio potentials for states of XeI, XeI− and XeI+. Chemical Physics, 361. 68-74 doi:10.1016/j.chemphys.2009.05.007
Palmer, Michael H. (2008) The electronic states of thiazole studied by VUV absorption spectroscopy and ab initio configuration interaction methods. Chemical Physics, 344. 21-34 doi:10.1016/j.chemphys.2007.11.015
 
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