About: Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations

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About: Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations Goto Sponge NotDistinct Permalink

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scientific article published on 14 April 2011

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в травні 2011 (uk) im Mai 2011 veröffentlichter wissenschaftlicher Artikel (de) scientific article published on 14 April 2011 (en) artículu científicu espublizáu n'abril de 2011 (ast)
publication date	wds:Q60462827-A83E2F4B-35B1-40B3-B168-1DD6B88F9DEE
publication date	2011-04-14 00:00:00Z (xsd:dateTime)
author name string	wds:Q60462827-06A31C5F-6B03-41D8-A47B-F79E7D38C362 wds:Q60462827-3ED13A16-AB5B-4380-9E96-B9BFFA8A0634 wds:Q60462827-451058C2-E0E2-488A-8AA5-16F10F42F0A3
author name string	Pawel M Kozlowski Maria Jaworska Piotr Lodowski
rdfs:label	Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations (en) Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations (nl)
skos:prefLabel	Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations (en) Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations (nl)
name	Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations (en) Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations (nl)
author	wds:Q60462827-021C145F-B72F-49BF-B081-4757CDB72279 wds:Q60462827-3800B627-47DC-4EDF-9AA0-C8C5E498D07E wds:Q60462827-76B9042E-7A8F-4310-BE3E-0F8694C5E30C
author	Mercedes Alfonso-Prieto Carme Rovira Neeraj Kumar
title	wds:Q60462827-9F0D2C39-EC29-4782-B938-72DE2A739D08
title	Role of the Axial Base in the Modulation of the Cob(I)alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations (en)
page(s)	wds:Q60462827-B988D2E5-421F-4633-B6C3-7BF53C184CE2
page(s)	1541-1551
instance of	wds:Q60462827-1369ECB7-D7F8-44E8-A255-DDC9225935B3
instance of	scholarly article
PubMed ID	wds:Q60462827-3CF17DCC-F40B-4E41-9DCF-B395F9A7C72B
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/26610143
PubMed ID	26610143
published in	wds:Q60462827-9BFC4B87-AD73-4C55-8C0C-2FE8580D4225
published in	Journal of Chemical Theory and Computation
issue	wds:Q60462827-CFC25D71-2926-40A8-BD5B-9A817E5DBF2B
volume	wds:Q60462827-6CC4282C-391B-4776-BF07-E0721E649DA3
issue	5
volume	7
DOI	wds:Q60462827-A150137C-0A86-43A1-9C5C-02AE64237F69
DOI	http://dx.doi.org/10.1021/CT200065S
DOI	10.1021/CT200065S
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q60462827
is cites work of	Kinetics and mechanism of oxidation of super-reduced cobalamin and cobinamide species by thiosulfate, sulfite and dithionite A mechanochemical switch to control radical intermediates Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics TD-DFT insight into photodissociation of the Co-C bond in coenzyme B12. Reductive elimination pathway for homocysteine to methionine conversion in cobalamin-dependent methionine synthase
is cites work of	wds:Q37269296-887D24CA-7C96-48C1-96D7-7A1C5769598C wds:Q108540453-6B4775DA-C15D-4FBC-897B-C1754E13BCD4 wds:Q33792779-6C9FA512-7588-4570-AE28-5D1187138349 wds:Q37696076-7D3D5EC9-B5EB-4A47-AAE2-DA7B0862EB61 wds:Q83494629-FD3189A2-91E4-4DF9-A2FA-FDB179ECA4D3

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