LOURDES
GRACIA EDO
TITULAR DE UNIVERSIDAD
![Foto de Vicent Sixte](/img/nophoto.png)
Vicent Sixte
Safont Villareal
Publicaciones en las que colabora con Vicent Sixte Safont Villareal (6)
2017
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Bridging structure and real-space topology: Understanding complex molecules and solid-state materials
Recent Advances in Complex Functional Materials: From Design to Application (Springer International Publishing), pp. 427-454
2016
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Quantum Chemical Topology Approach for Dissecting Chemical Structure and Reactivity
Challenges and Advances in Computational Chemistry and Physics (Springer), pp. 257-294
2015
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Chemical structure and reactivity by means of quantum chemical topology analysis
Computational and Theoretical Chemistry, Vol. 1053, pp. 17-30
2004
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DFT study of the reaction between VO2+ and C2H6
Organometallics, Vol. 23, Núm. 4, pp. 730-739
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DFT study of the water-assisted tautomerization process between hydrated oxide, MO(H2O)+, and dihydroxide, M(OH)2 +, cations (M=V, Nb and Ta)
Chemical Physics Letters, Vol. 384, Núm. 1-3, pp. 56-62
2003
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Theoretical study on the molecular mechanism for the reaction of VO2+ with C2H4
Journal of Physical Chemistry A, Vol. 107, Núm. 17, pp. 3107-3120