Name: CCDC 2077135: Experimental Crystal Structure Determination Date: 2021-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, M. Ángeles Fuentes, Jamie Hicks, Caitilín McManus, Rémi T...
DOI: 10.5517/ccdc.csd.cc27qfcs
Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27qfcs&sid=DataCite
Article: Reactions of a diborylstannylene with CO2 and N2O: diboration of carbon dioxide by a main group bis(boryl) complex
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Name: CCDC 2077134: Experimental Crystal Structure Determination Date: 2021-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, M. Ángeles Fuentes, Jamie Hicks, Caitilín McManus, Rémi T...
DOI: 10.5517/ccdc.csd.cc27qfbr
Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27qfbr&sid=DataCite
Article: Reactions of a diborylstannylene with CO2 and N2O: diboration of carbon dioxide by a main group bis(boryl) complex
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Name: CCDC 2077139: Experimental Crystal Structure Determination Date: 2021-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, M. Ángeles Fuentes, Jamie Hicks, Caitilín McManus, Rémi T...
DOI: 10.5517/ccdc.csd.cc27qfhx
Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27qfhx&sid=DataCite
Article: Reactions of a diborylstannylene with CO2 and N2O: diboration of carbon dioxide by a main group bis(boryl) complex
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Name: CCDC 2077136: Experimental Crystal Structure Determination Date: 2021-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, M. Ángeles Fuentes, Jamie Hicks, Caitilín McManus, Rémi T...
DOI: 10.5517/ccdc.csd.cc27qfdt
Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27qfdt&sid=DataCite
Article: Reactions of a diborylstannylene with CO2 and N2O: diboration of carbon dioxide by a main group bis(boryl) complex
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Name: CCDC 2077137: Experimental Crystal Structure Determination Date: 2021-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, M. Ángeles Fuentes, Jamie Hicks, Caitilín McManus, Rémi T...
DOI: 10.5517/ccdc.csd.cc27qffv
Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27qffv&sid=DataCite
Article: Reactions of a diborylstannylene with CO2 and N2O: diboration of carbon dioxide by a main group bis(boryl) complex
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Name: CCDC 2077133: Experimental Crystal Structure Determination Date: 2021-01-01 00:00:00 UTC
Description: Related Article: Andrey V. Protchenko, M. Ángeles Fuentes, Jamie Hicks, Caitilín McManus, Rémi T...
DOI: 10.5517/ccdc.csd.cc27qf9q
Location: http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27qf9q&sid=DataCite
Article: Reactions of a diborylstannylene with CO2 and N2O: diboration of carbon dioxide by a main group bis(boryl) complex
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Name: Supplemental Information 1: Molecular xyz coordinates 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-1
Location: http://dx.doi.org/10.7717/peerj-pchem.8/supp-1
Article: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes
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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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