Name: Supplementary Data Nanocubes of Mo6S8 Chevrel Phase as Active Electrode Material for Aqueous Lithium-Ion Batteries Date: 2022-06-23 00:00:00 UTC
Description: Electronic supplementary information (ESI) available
DOI:
Location: https://www.rsc.org/suppdata/d2/nr/d2nr02014a/d2nr02014a1.pdf
Article: Nanocubes of Mo<sub>6</sub>S<sub>8</sub> Chevrel phase as active electrode material for aqueous lithium-ion batteries
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Name: Supplementary Information File for Article Date: 2016-12-21 00:00:00 UTC
Description: Related Article: Heteroleptic, two-coordinate [M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthe...
DOI:
Location: https://www.rsc.org/suppdata/c6/dt/c6dt03565e/c6dt03565e1.pdf
Article: Heteroleptic, two-coordinate M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state
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Name: Supporting Information Tailoring the selectivity to glyceraldehyde by tuning the acid-based properties of Au catalysts Date: 2014-10-17 00:00:00 UTC
Description: Supporting Information Tailoring the selectivity to glyceraldehyde by tuning the acid-based prop...
DOI:
Location: https://www.rsc.org/suppdata/cy/c4/c4cy01246a/c4cy01246a1.pdf
Article: Tailoring the selectivity of glycerol oxidation by tuning the acid–base properties of Au catalysts
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Name: Supporting information Contrasting the EXAFS obtained under air and H2environments to reveal details of the surface structure of Pt-Sn nanoparticles Date: 2021-05-11 00:00:00 UTC
Description: Supplementary
DOI:
Location: https://www.rsc.org/suppdata/d1/cp/d1cp00979f/d1cp00979f1.pdf
Article: Contrasting the EXAFS obtained under air and H2 environments to reveal details of the surface structure of Pt–Sn nanoparticles
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Name: Table S1: Coordinates of 29 molecules optimized at the B3LYP/6-311+G(d) level 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-2
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-2
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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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
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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
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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
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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
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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
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