Broken inter-C 60 bonds as the cause of magnetism in polymeric C 60: A density functional study using C 60 dimers
- Jordi Ribas-Ariño
- Alessandro Curioni
- et al.
- 2005
- Journal of Physical Chemistry A
Paper
Publications
4 results for Juan J. Novoa
The mechanism of magnetic interactions in the bulk ferromagnet para-(methylthio)phenyl nitronyl nitroxide (YUJNEW): A first principles, bottom-up, theoretical study
- Mercè Deumal
- Michael J. Bearpark
- et al.
- 2004
- Chemistry - A European Journal
PaperThe strength-length relationship at the light of ab initio computations: Does it really hold?
- Emiliana D'Oria
- Juan J. Novoa
- 2004
- CrystEngComm
PaperA first-principles analysis of the magnetism of CuII polynuclear coordination complexes: The case of [Cu4(bpy)4(aspartate) 2(H2O)3](ClO4)4 ·2. 5H2O
- Mercè Deumal
- Jordi Ribas-Ariño
- et al.
- 2004
- Molecules
Paper