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Manuscript title: On the reaction mechanism of an endoperoxide ring formation by fumitremorgin B endoperoxidase. The right arrangement makes a difference.
Journal: J. Chem. Soc., Dalton Trans.
DOI: 10.1039/C9DT02581B
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Miłaczewska, Anna | - |
| dc.coverage.spatial | ES Girona Girona | - |
| dc.date.accessioned | 2019-10-01T07:48:04Z | - |
| dc.date.available | 2019-10-01T07:48:04Z | - |
| dc.date.created | 2019-10-01T09:48:03.078+02:00 | - |
| dc.date.issued | 2019-10-01T09:48:03.078+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/776 | - |
| dc.description | system P (with docked fumitremorgin B); mutant Y224A; oxoferryl rotated: S-oxo-rot | - |
| dc.publisher | Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences | - |
| dc.relation | Original title: On the reaction mechanism of an endoperoxide ring formation by fumitremorgin B endoperoxidase. The right arrangement makes a difference. DOI: 10.1039/C9DT02581B Journal: J. Chem. Soc., Dalton Trans. | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-8 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/C9DT02581B | - |
| dc.rights | CC BY 4.0 (c) UdG, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Reaction mechanisms | - |
| dc.subject | verruculogen synthase | - |
| dc.subject | fumitremorgin B endoperoxidase | - |
| dc.title | system_P_y224a_S-oxo-rot | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-10-01T07:48:04Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | ES64L-G09RevE.01 | en |
| cml.method | UB3LYP | en |
| cml.multiplicity | 5 | en |
| cml.spintype | Unrestricted | en |
| cml.shelltype | open | en |
| cml.charge | 0 | en |
| cml.energy.value | -3447.6027899 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C48H72FeN10O12 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | FtmF - DOI: 10.19061/iochem-bd-4-8 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/776
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