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Gu, Geun Ho, Schweitzer, Benjamin, Michel, Carine, Steinmann, Stephan N., Sautet, Philippe, Vlachos, Dionisios G. (2017) Group Additivity for Aqueous Phase Thermochemical Properties of Alcohols on Pt(111). The Journal of Physical Chemistry C, 121 (39). 21510-21519 doi:10.1021/acs.jpcc.7b07340

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Reference TypeJournal (article/letter/editorial)
TitleGroup Additivity for Aqueous Phase Thermochemical Properties of Alcohols on Pt(111)
JournalThe Journal of Physical Chemistry C
AuthorsGu, Geun HoAuthor
Schweitzer, BenjaminAuthor
Michel, CarineAuthor
Steinmann, Stephan N.Author
Sautet, PhilippeAuthor
Vlachos, Dionisios G.Author
Year2017 (October 5)Volume121
Issue39
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpcc.7b07340Search in ResearchGate
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Mindat Ref. ID3926265Long-form Identifiermindat:1:5:3926265:9
GUID0
Full ReferenceGu, Geun Ho, Schweitzer, Benjamin, Michel, Carine, Steinmann, Stephan N., Sautet, Philippe, Vlachos, Dionisios G. (2017) Group Additivity for Aqueous Phase Thermochemical Properties of Alcohols on Pt(111). The Journal of Physical Chemistry C, 121 (39). 21510-21519 doi:10.1021/acs.jpcc.7b07340
Plain TextGu, Geun Ho, Schweitzer, Benjamin, Michel, Carine, Steinmann, Stephan N., Sautet, Philippe, Vlachos, Dionisios G. (2017) Group Additivity for Aqueous Phase Thermochemical Properties of Alcohols on Pt(111). The Journal of Physical Chemistry C, 121 (39). 21510-21519 doi:10.1021/acs.jpcc.7b07340
In(2017, October) The Journal of Physical Chemistry C Vol. 121 (39) American Chemical Society (ACS)

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Gu, Geun Ho, Vlachos, Dionisios G. (2016) Group Additivity for Thermochemical Property Estimation of Lignin Monomers on Pt(111). The Journal of Physical Chemistry C, 120 (34). 19234-19241 doi:10.1021/acs.jpcc.6b06430
Réocreux, Romain, Michel, Carine, Fleurat-Lessard, Paul, Sautet, Philippe, Steinmann, Stephan N. (2019) Evaluating Thermal Corrections for Adsorption Processes at the Metal/Gas Interface. The Journal of Physical Chemistry C, 123 (47). 28828-28835 doi:10.1021/acs.jpcc.9b09863
Gautier, Sarah, Steinmann, Stephan N., Michel, Carine, Fleurat-Lessard, Paul, Sautet, Philippe (2015) Molecular adsorption at Pt(111). How accurate are DFT functionals?. Physical Chemistry Chemical Physics, 17 (43). 28921-28930 doi:10.1039/c5cp04534g
Schweitzer, Benjamin, Steinmann, Stephan N., Michel, Carine (2019) Can microsolvation effects be estimated from vacuum computations? A case-study of alcohol decomposition at the H2O/Pt(111) interface. Physical Chemistry Chemical Physics, 21 (10). 5368-5377 doi:10.1039/c8cp06331a
Lym, Jonathan, Gu, Geun Ho, Jung, Yousung, Vlachos, Dionisios G. (2019) Lattice Convolutional Neural Network Modeling of Adsorbate Coverage Effects. The Journal of Physical Chemistry C, 123 (31). 18951-18959 doi:10.1021/acs.jpcc.9b03370
Ould Hamou, Cherif A., Réocreux, Romain, Sautet, Philippe, Michel, Carine, Giorgi, Javier B. (2017) Adsorption and Decomposition of a Lignin β-O-4 Linkage Model, 2-Phenoxyethanol, on Pt(111): Combination of Experiments and First-Principles Calculations. The Journal of Physical Chemistry C, 121 (18). 9889-9900 doi:10.1021/acs.jpcc.7b01099
Steinmann, Stephan N., Sautet, Philippe, Michel, Carine (2016) Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models. Physical Chemistry Chemical Physics, 18 (46). 31850-31861 doi:10.1039/c6cp04094b
Steinmann, Stephan N., Michel, Carine, Schwiedernoch, Renate, Wu, Mengjia, Sautet, Philippe (2016) Electro-carboxylation of butadiene and ethene over Pt and Ni catalysts. Journal of Catalysis, 343. 240-247 doi:10.1016/j.jcat.2016.01.008
Melissen, Sigismund T. A. G., Steinmann, Stephan N., Le Bahers, Tangui, Sautet, Philippe (2016) DFT Perspective on the Thermochemistry of Carbon Nitride Synthesis. The Journal of Physical Chemistry C, 120 (43). 24542-24550 doi:10.1021/acs.jpcc.6b06335
Steinmann, Stephan N., Michel, Carine, Schwiedernoch, Renate, Sautet, Philippe (2015) Impacts of electrode potentials and solvents on the electroreduction of CO2: a comparison of theoretical approaches. Physical Chemistry Chemical Physics, 17 (21). 13949-13963 doi:10.1039/c5cp00946d
Vorotnikov, Vassili, Vlachos, Dionisios G. (2015) Group Additivity and Modified Linear Scaling Relations for Estimating Surface Thermochemistry on Transition Metal Surfaces: Application to Furanics. The Journal of Physical Chemistry C, 119 (19). 10417-10426 doi:10.1021/acs.jpcc.5b01696
 
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