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Heggen, Berit, Roy, Sudip, Müller-Plathe, Florian (2008) Ab Initio Calculations of the Condensation of Phosphonic Acid and Methylphosphonic Acid: Chemical Properties of Potential Electrolyte Materials for Fuel Cell Applications. The Journal of Physical Chemistry C, 112 (36). 14209-14215 doi:10.1021/jp803589w

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Reference TypeJournal (article/letter/editorial)
TitleAb Initio Calculations of the Condensation of Phosphonic Acid and Methylphosphonic Acid: Chemical Properties of Potential Electrolyte Materials for Fuel Cell Applications
JournalThe Journal of Physical Chemistry C
AuthorsHeggen, BeritAuthor
Roy, SudipAuthor
Müller-Plathe, FlorianAuthor
Year2008 (September 11)Volume112
Issue36
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp803589wSearch in ResearchGate
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Mindat Ref. ID3896383Long-form Identifiermindat:1:5:3896383:0
GUID0
Full ReferenceHeggen, Berit, Roy, Sudip, Müller-Plathe, Florian (2008) Ab Initio Calculations of the Condensation of Phosphonic Acid and Methylphosphonic Acid: Chemical Properties of Potential Electrolyte Materials for Fuel Cell Applications. The Journal of Physical Chemistry C, 112 (36). 14209-14215 doi:10.1021/jp803589w
Plain TextHeggen, Berit, Roy, Sudip, Müller-Plathe, Florian (2008) Ab Initio Calculations of the Condensation of Phosphonic Acid and Methylphosphonic Acid: Chemical Properties of Potential Electrolyte Materials for Fuel Cell Applications. The Journal of Physical Chemistry C, 112 (36). 14209-14215 doi:10.1021/jp803589w
In(2008, September) The Journal of Physical Chemistry C Vol. 112 (36) American Chemical Society (ACS)

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Roy, Sudip, Ataol, Tamer M., Müller-Plathe, Florian (2008) Molecular Dynamics Simulations of Heptyl Phosphonic Acid: A Potential Polymer Component for Fuel Cell Polymer Membrane. The Journal of Physical Chemistry B, 112 (25). 7403-7409 doi:10.1021/jp0757107
Roy, Sudip, Markova, Dilyana, Kumar, Avneesh, Klapper, Markus, Müller-Plathe, Florian (2009) Morphology of Phosphonic Acid-Functionalized Block Copolymers Studied by Dissipative Particle Dynamics. Macromolecules, 42. 841-848 doi:10.1021/ma802263t
Weiss, Volker C., Heggen, Berit, Müller-Plathe, Florian (2010) Critical Parameters and Surface Tension of the Room Temperature Ionic Liquid [bmim][PF6]: A Corresponding-States Analysis of Experimental and New Simulation Data. The Journal of Physical Chemistry C, 114 (8). 3599-3608 doi:10.1021/jp9109282
Heggen, Berit, Zhao, Wei, Leroy, Frédéric, Dammers, Anton J., Müller-Plathe, Florian (2010) Interfacial Properties of an Ionic Liquid by Molecular Dynamics. The Journal of Physical Chemistry B, 114 (20). 6954-6961 doi:10.1021/jp911128j
Pahari, Swagata, Choudhury, Chandan Kumar, Pandey, Prithvi Raj, More, Minal, Venkatnathan, Arun, Roy, Sudip (2012) Molecular Dynamics Simulation of Phosphoric Acid Doped Monomer of Polybenzimidazole: A Potential Component Polymer Electrolyte Membrane of Fuel Cell. The Journal of Physical Chemistry B, 116 (24). 7357-7366 doi:10.1021/jp301117m
Ouyang, Bin, Howard, Brian J. (2008) High-Resolution Microwave Spectroscopic and ab initio Studies of Propanoic Acid and Its Hydrates. The Journal of Physical Chemistry A, 112 (36). 8208-8214 doi:10.1021/jp802422b
Paddison, Stephen J., Kreuer, Klaus-Dieter, Maier, Joachim (2006) About the choice of the protogenic group in polymer electrolyte membranes: Ab initio modelling of sulfonic acid, phosphonic acid, and imidazole functionalized alkanes. Physical Chemistry Chemical Physics, 8 (39). 4530pp. doi:10.1039/b611221h
Richard, Ryan M., Ball, David W. (2008) Ab Initio Calculations on the Thermodynamic Properties of Azaspiropentanes. The Journal of Physical Chemistry A, 112 (12). 2618-2627 doi:10.1021/jp077411n
Pahari, Swagata, Roy, Sudip (2015) Proton transport mechanism of imidazole, triazole and phosphoric acid mixtures from ab initio molecular dynamics simulations. Physical Chemistry Chemical Physics, 17 (45). 30551-30559 doi:10.1039/c5cp05735c
Li, Feng, Zhu, Zhonghua, Zhao, Mingwen, Xia, Yueyuan (2008) Ab Initio Calculations on the Magnetic Properties of Hydrogenated Boron Nitride Nanotubes. The Journal of Physical Chemistry C, 112 (42). 16231-16235 doi:10.1021/jp802524m
dos Santos, Daniel J. V. A., Müller-Plathe, Florian, Weiss, Volker C. (2008) Consistency of Ion Adsorption and Excess Surface Tension in Molecular Dynamics Simulations of Aqueous Salt Solutions. The Journal of Physical Chemistry C, 112 (49). 19431-19442 doi:10.1021/jp804811u
 
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