research | talks

| topics | publications | PhD theses |
 
Search for:
Quantum Chemistry only
Contribution type:
Criteria:
Participations in meetings
Authors: J. J. Carbó
Title: Reactivity of group 4 metal-substituted POMs. On the mechanism of oxidation and self-assembly processes
Type of participation: Invited conference
Meeting: 1st European Conference on Polyoxometate Chemistry for Molecular Nanoscience
Place: Tenerife (ESP) 2013
 
Authors: Josep M. Poblet
Title: Computational Modelling of Polyoxometalates Adsorbed on Metal Surfaces
Type of participation: Invited conference
Meeting: 1nd European Conference on Polyoxometalate Chemistry for Molecular Nanoscience (PoCheMoN 2013), Tenerife on 16 - 19 May 2013
Place: Tenerife (ESP) 2013
 
Authors: Poblet, J.M.; Alegret, N.; Rodríguez-Fortea, A.; Aparicio-Anglès, X.; Clotet, A.
Title: Structure and Reactivity of Endohedral Metallofullerenes
Type of participation: Invited conference
Meeting: 223rd ECS Meeting; 12-16 May
Place: Toronto (CAN) 2013
 
Authors: Josep M. Poblet
Title: Endohedral Metallofullerenes. A Unique Host-Guest Association
Type of participation: Invited conference
Meeting: Summer School (ICIQ); 30th June - 4th July
Place: Tarragona (ESP) 2013
 
Authors: Josep M. Poblet
Title: Computational Modelling of Polyoxometalates
Type of participation: Invited conference
Meeting: 15th Asian Chemical Congress, 19th-23rd August
Place: Singapore (SGP) 2013
 
Authors: Josep M. Poblet
Title: Electronic Structure of Polyoxometalates: From Nucleation of Small Polyoxotungstates to the Properties of Large Anions
Type of participation: Invited conference
Meeting: XXXIV Reunión Bienal de la Real Sociedad Española de Química
Place: Santander (ESP) 2013
 
Authors: Josep M. Poblet
Title: Challenges in the Computational Modelling of Polyoxometaltes
Type of participation: Invited conference
Meeting: Joint Working Group Meeting 2013 of the COST action 1203 on 'Polyoxometalate Chemistry for Molecular Nanoscience'
Place: Aveiro (PRT) 2013
 
Authors: M. Reguero
Title: Following the trail of Rosa Caballol's research
Type of participation: Invited conference
Meeting: Theoretical Chemistry in Spain told by women. A Symposium in Honour of Rosa Caballol
Place: Tarragona (ESP) 2013
 
Authors: Carbo, J.J.
Title: Quantitative Structure-Property Relationship modeling of homogeneous catalysts as an alternative to Transition State-based approaches
Type of participation: Invited conference
Meeting: XXVIII Reunió Anual de la Xarxa de Referència de R+D+i en Química Teòrica i Computacional (XRQTC)
Place: Barcelona (ESP) 2012
 
Authors: C. de Graaf; C. Sousa
Title: Ultrafast deactivation mechanism of the excited singlet in the light induced spin crossover of [Fe(bipy)3]2+
Type of participation: Invited conference
Meeting: Spin states in biochemistry and inorganic chemistry
Place: Zaragoza (ESP) 2012