Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
ni_soxo_adduct_B_s87.5c.or2.last.pdbDownload
ni_soxo_adduct_B_s87.5c.or2.comDownload
output.cmlDownload
Referenced by:

Manuscript title: On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase

Journal: Chem. Eur. J.

Full metadata record
DC FieldValueLanguage
dc.contributor.authorBorowski, Tomasz-
dc.coverage.spatialES Girona Girona-
dc.date.accessioned2017-10-30T10:58:09Z-
dc.date.available2017-10-30T10:58:09Z-
dc.date.created2017-10-30T11:58:07.439+01:00-
dc.date.issued2017-10-30T11:58:07.439+01:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/403-
dc.descriptionONIOM opt-
dc.publisherICSC PAS-
dc.relationOriginal title: On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase Journal: Chem. Eur. J.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-5-
dc.rightsCC BY 4.0 (c) UdG, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title10_Ni-
dc.typedataset-
dc.date.updated2017-10-30T10:58:09Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodONIOMen
cml.methodB3LYPen
cml.methodAMBERen
cml.spintypeen
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ni-hARD_reaction - DOI: 10.19061/iochem-bd-4-5



Please use this identifier to cite or link to this item: https://iochem.udg.edu:8443/browse/handle/100/403

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License