Electron-Induced Spin Crossover of Single Molecules in a Bilayer on Gold

2012 ◽  
Vol 51 (25) ◽  
pp. 6262-6266 ◽  
Author(s):  
Thiruvancheril G. Gopakumar ◽  
Francesca Matino ◽  
Holger Naggert ◽  
Alexander Bannwarth ◽  
Felix Tuczek ◽  
...  
2013 ◽  
Vol 52 (14) ◽  
pp. 3796-3796 ◽  
Author(s):  
Thiruvancheril G. Gopakumar ◽  
Francesca Matino ◽  
Holger Naggert ◽  
Alexander Bannwarth ◽  
Felix Tuczek ◽  
...  

2012 ◽  
Vol 22 (19) ◽  
pp. 9690 ◽  
Author(s):  
Tatiana Palamarciuc ◽  
Jenny C. Oberg ◽  
Fadi El Hallak ◽  
Cyrus F. Hirjibehedin ◽  
Michele Serri ◽  
...  

2011 ◽  
Vol 134 (2) ◽  
pp. 777-779 ◽  
Author(s):  
Daniel Aravena ◽  
Eliseo Ruiz

2014 ◽  
Vol 89 (19) ◽  
Author(s):  
Manuel Gruber ◽  
Vincent Davesne ◽  
Martin Bowen ◽  
Samy Boukari ◽  
Eric Beaurepaire ◽  
...  

2021 ◽  
Author(s):  
Cyril Rajnák ◽  
Romana Mičová ◽  
Ján Moncoľ ◽  
Ľubor Dlháň ◽  
Christoph Krüger ◽  
...  

A pentadentate Schiff-base ligand 3,5Cl-L2− and NCSe− form a iron(iii) mononuclear complex [Fe(3,5Cl-L)(NCSe)], which shows a thermally induced spin crossover with a broad hysteresis width of 24 K between 123 K (warming) and 99 K (cooling).


2009 ◽  
Vol 11 (S1) ◽  
pp. S19-S19 ◽  
Author(s):  
Daniel Evanko
Keyword(s):  

2004 ◽  
Vol 114 ◽  
pp. 601-605 ◽  
Author(s):  
S. J. Blundell ◽  
T. Lancaster ◽  
F. L. Pratt ◽  
C. A. Steer ◽  
M. L. Brooks ◽  
...  

2018 ◽  
Vol 189 (03) ◽  
pp. 312-322 ◽  
Author(s):  
Ivan Yu. Eremchev ◽  
M.Yu. Eremchev ◽  
Andrei V. Naumov

2019 ◽  
Author(s):  
Xianghai Sheng ◽  
Lee Thompson ◽  
Hrant Hratchian

This work evaluates the quality of exchange coupling constant and spin crossover gap calculations using density functional theory corrected by the Approximate Projection model. Results show that improvements using the Approximate Projection model range from modest to significant. This study demonstrates that, at least for the class of systems examined here, spin-projection generally improves the quality of density functional theory calculations of J-coupling constants and spin crossover gaps. Furthermore, it is shown that spin-projection can be important for both geometry optimization and energy evaluations. The Approximate Project model provides an affordable and practical approach for effectively correcting spin-contamination errors in molecular exchange coupling constant and spin crossover gap calculations.


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