Theoretical description of the structure and magnetic properties of nitroxide-Cu(II)-nitroxide spin triads by means of multiconfigurational ab initio calculations.
about
Progress and challenges in the calculation of electronic excited states.Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives.The roles of 4f- and 5f-orbitals in bonding: a magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study.Characterization of berkelium(III) dipicolinate and borate compounds in solution and the solid state.Multireference ab initio calculations of g tensors for trinuclear copper clusters in multicopper oxidasesSynthesis and study of CuII complex with nitroxide, a jumping crystal analogCorrelated wavefunction methods in bioinorganic chemistry
P2860
Q37933188-0EAAE685-EAEF-44EE-B632-9A05C9197AFFQ37995512-7E2A35C2-1F40-416F-9FA6-BE4E9ED65254Q39651517-47BFFE12-3662-4BA2-88CC-34D8F7FD8728Q40400327-07B3A639-A0FA-4717-864D-4ED2A8676A18Q41054936-EE563A22-AC34-40D8-B556-134156D2BCE5Q56480758-325B955F-8209-4255-A96B-EC5B64E015D1Q58009809-8D397A44-4914-4663-9AFC-DF9918AC773D
P2860
Theoretical description of the structure and magnetic properties of nitroxide-Cu(II)-nitroxide spin triads by means of multiconfigurational ab initio calculations.
description
2009 nî lūn-bûn
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2009年の論文
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name
Theoretical description of the structure and magnetic properties of nitroxide-Cu
@nl
Theoretical description of the ...... tional ab initio calculations.
@en
type
label
Theoretical description of the structure and magnetic properties of nitroxide-Cu
@nl
Theoretical description of the ...... tional ab initio calculations.
@en
prefLabel
Theoretical description of the structure and magnetic properties of nitroxide-Cu
@nl
Theoretical description of the ...... tional ab initio calculations.
@en
P356
P1476
Theoretical description of the ...... tional ab initio calculations.
@en
P2093
Lubomír Rulísek
Steven Vancoillie
P304
P356
10.1021/JP900822V
P407
P577
2009-05-01T00:00:00Z