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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Name: SI for: Influence of Biochar Composition and Source Material on Catalytic Performance: The Carboxylation of Glycerol with CO2 as a Case Study Date: 2020-08-17 00:00:00 UTC
Description: Related Article: Collett, Catherine, Mašek, Ondřej, Razali, Nurul, McGregor, James(2020) Influen...
DOI:
Location: https://www.mdpi.com/2073-4344/10/9/1067/s1
Article: Influence of Biochar Composition and Source Material on Catalytic Performance: The Carboxylation of Glycerol with CO2 as a Case Study
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Name: Glycerol carboxylation over biochar - Data.xlsx Date: 2020-08-17 00:00:00 UTC
Description: Related Article: Collett, Catherine, Mašek, Ondřej, Razali, Nurul, McGregor, James(2020) Influen...
DOI:
Location: https://drive.google.com/file/d/1PFCb2zhIgaVr8MUmXf2B-qibfDHXE58N/view?usp=sharing
Article: Influence of Biochar Composition and Source Material on Catalytic Performance: The Carboxylation of Glycerol with CO2 as a Case Study
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Name: 41467_2021_26508_MOESM3_ESM.xlsx Date: 2021-10-29 00:00:00 UTC
Description: Related Article: Gautom, Trishnamoni, Dheeman, Dharmendra, Levy, Colin, Butterfield, Thomas, Alv...
DOI:
Location: https://static-content.springer.com/esm/art%3A10.1038%2Fs41467-021-26508-0/MediaObjects/41467_2021_26508_MOESM3_ESM.xlsx
Article: Structural basis of terephthalate recognition by solute binding protein TphC
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Name: Evolution of dynamical networks enhances catalysis in a designer enzyme Date: 2021-06-23 00:00:00 UTC
Description: Data related to: "Evolution of dynamical networks enhances catalysis in a designer enzyme". H. A...
DOI: 10.5523/bris.l6hm9j11yil92bh9rvh27i7ge
Location: https://data.bris.ac.uk/data/dataset/l6hm9j11yil92bh9rvh27i7ge
Article: Evolution of dynamical networks enhances catalysis in a designer enzyme
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Name: THE SYNTHESIS OF GLYCEROL CARBONATE FROM GLYCEROL AND CARBON DIOXIDE OVER HETEROGENEOUS CATALYSTS Date: 2018-03-13 00:00:00 UTC
Description: Informed Consent Statement: Not applicable.Data Availability Statement: The data presented in th...
DOI:
Location: http://etheses.whiterose.ac.uk/19350/
Article: Improving Product Yield in the Direct Carboxylation of Glycerol with CO2 through the Tailored Selection of Dehydrating Agents
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Description: PrFeO3 (PFO) has been shown to be an active photochemical water reduction in slurry reactors, bu...
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Location: https://researchdata.bath.ac.uk/708/
Article: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis
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