1 article(s) from Tarrat, Nathalie
Low-symmetry FeTPP conformations: a) ideal (D4h); b) saddle (D2d); c) twist (S4); d) deckchair (C2h...
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Activation energy to pass from the twist form (S4) to the saddle shape (D2d) and from the saddle sh...
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a) T-type (saddle conformation) and b) π–π-type (deckchair conformation) arrangements of FeTPP in 2...
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calculated activation barrier between HS (S = 2) and IS (S = 1) of a FeTPP molecule in C2h conforma...
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Conformation of the central porphyrin core in a) HS state; b) IS state (phenyl rings were omitted f...
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Calculated activation barrier between HS (S = 2) and IS (S = 1) of FeTPP (C2h conformation) adsorbe...
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Spin-resolved PDOS on d-orbitals of the Fe atom of HS FeTPP (a) at the fcc site of Au(111) and (b) ...
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Spin-resolved PDOS of FeTPP. a) free molecule (red), adsorbed on fcc site of b) Au(111) (green), c)...
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Beilstein J. Nanotechnol. 2017, 8, 2484–2491, doi:10.3762/bjnano.8.248
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