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[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus
[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus
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[Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus

Witte, Matthias ; Rohrmüller, Martin ; Gerstmann, Uwe ; Henkel, Gerald ; Schmidt, Wolf Gero ; Herres‐Pawlis, Sonja

Journal of computational chemistry, 2017-07, Vol.38 (20), p.1752-1761 [Periódico revisado por pares]

United States: Wiley Subscription Services, Inc

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2
First- and second-row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation
First- and second-row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation
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First- and second-row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation

Lima, Francisco C. A. ; Viana, Rommel B. ; da Silva, Thais T. ; Wardell, Solange M. S. V. ; do Filho, Armando P. Nascimento ; Carneiro, José Walkimar M. ; Comar Jr, Moacyr ; da Silva, Albérico B. F.

Journal of molecular modeling, 2012-07, Vol.18 (7), p.3243-3253 [Periódico revisado por pares]

Berlin/Heidelberg: Springer-Verlag

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3
Metal binding selectivity of oxa-aza macrocyclic ligand: a DFT study of first- and second-row transition metal for four coordination systems
Metal binding selectivity of oxa-aza macrocyclic ligand: a DFT study of first- and second-row transition metal for four coordination systems
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Metal binding selectivity of oxa-aza macrocyclic ligand: a DFT study of first- and second-row transition metal for four coordination systems

Lima, Francisco C. A. ; Viana, Rommel B. ; Carneiro, José W. M. ; Comar, Moacyr ; da Silva, Albérico B. F.

Structural chemistry, 2012-10, Vol.23 (5), p.1539-1545 [Periódico revisado por pares]

Boston: Springer US

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