Name: ycsr_a_11695575_sm0001.pdf Date: 2014-12-03 00:00:00 UTC
Description: Supplementary data for Development and characterization of thermally stable supported V–W–TiO2 c...
DOI:
Location: https://s3-eu-west-1.amazonaws.com/pstorage-tf-iopjsd8797887/7556059/ycsr_a_11695575_sm0001.pdf
Article: Development and characterization of thermally stable supported V–W–TiO2 catalysts for mobile NH3–SCR applications
|
Name: surfaces-02-00001-s001.pdf Date: 2019-01-03 00:00:00 UTC
Description: Supplementary data for Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Orde...
DOI:
Location: https://res.mdpi.com/d_attachment/surfaces/surfaces-02-00001/article_deploy/surfaces-02-00001-s001.pdf?version=1546517275
Article: Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Ordered Mesoporous Carbons toward CO and Methanol Oxidation
|
Name: emi16488-sup-0001-Supinfo.docx Date: 2023-09-11 00:00:00 UTC
Description: Copper bioreduction and nanoparticle synthesis by an enrichment culture from a former copper min...
DOI:
Location: https://ami-journals.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1111%2F1462-2920.16488&file=emi16488-sup-0001-Supinfo.docx
Article: Copper bioreduction and nanoparticle synthesis by an enrichment culture from a former copper mine
|
Name: XPS and STM studies of the oxidation of hydrogen chloride at Cu(100) surfaces Date: 2019-01-01 00:00:00 UTC
Description: XPS and STM studies of the oxidation of hydrogen chloride at Cu(100) surfaces. Data is organised...
DOI: 10.17035/d.2015.100122
Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/1572980
Article: XPS and STM studies of the oxidation of hydrogen chloride at Cu(100) surfaces
|
Name: Tuning of catalytic sites in Pt/TiO2 catalysts for chemoselective hydrogenation of 3-nitrostyrene Date: 2019-09-16 00:00:00 UTC
Description: The dataset contains the raw data of XPS, STEM, XAS, GC and CO DRIFT analysis of the Pt/TiO2 cat...
DOI: 10.17035/d.2019.0079744472
Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/79744472?auxfun=&lang=en_GB
Article: Tuning of catalytic sites in Pt/TiO2 catalysts for the chemoselective hydrogenation of 3-nitrostyrene
|
Name: Table S6: Absolute errors, mean absolute errors and standard deviations of reaction energies (in kcal mol−1) of reaction 1–20. The absolute errors are given relative to the CCSD(T)/aug-cc-pVTZ results Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-7
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-7
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
|
Name: Table S5: Mean signed errors, standard deviations, maximum errors and minimum errors along with their reaction number (Rxn No.) of reaction energies (in kcal mol<sup>−1</sup>) of reaction 1–20 Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-6
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-6
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
|
Name: Table S4: Errors of reaction energies (in kcal mol−1) of reaction 1–20, relative to the CCSD(T)/aug-cc-pVTZ results Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-5
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-5
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
|
Name: Table S3: Reaction energies (in kcal mol−1) of reaction 1–20 calculated by 24 quantum mechanics methods Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-4
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-4
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
|
Name: Table S2: Molecular energies of molecular No.1 (M1) to molecular No.29 (M29) (in kcal mol−1) calculated by 24 QM methods using the structure optimized at the B3LYP/6-311+G(d) level as starting structures Date: 2020-05-20 00:00:00 UTC
Description: Related Article: Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulho...
DOI: 10.7717/peerj-pchem.8/supp-3
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-3
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
|