research | publications

| topics | PhD theses | talks |
 
Search for:
Quantum Chemistry only
Publication type:
Criteria:
Last journal publications
    (most recent first). Actual h-index: 44

Molecular Characteristics of a Mixed-Valence Polyoxovanadate {VIV/V18O42} in Solution and at the Liquid−Surface Interface
Oliver Linnenber; Marco Moors; Albert Solé-Daura; Xavier López; Christoph Baümer; Emmanuel Kentzinger; Wim Pyckhout-Hintzen; Kirill Yu. Monakhov
Journal Of Physical Chemistry C (USA) , 2017, 121 , 10419 -10429 .
A multiconfigurational approach to the electronic structure of trichromium extended metal atom chains
M. Spivak; V. Arcisauskaite; X. López; J. E. McGrady; C. de Graaf
Dalton Transactions (ENG) , 2017, 46 , 6202 -6211 .
Chapter Six-[Co 9 (H 2 O) 6 (OH) 3 (HPO 4) 2 (PW 9 O 34) 3] 16−: A Highly Efficient Catalyst for Water Oxidation
J Soriano-López, S Goberna-Ferrón, JJ Carbó, JM Poblet, JR Galán-Mascarós
Advances in Inorganic Chemistry (USA) , 2017, 69 , 155 -179 .
Unique Four-Electron Metal-to-Cage Charge Transfer of Th to a C82 Fullerene Cage: Complete Structural Characterization of Th@ C3v(8)-C82
Yaofeng Wang, Roser Morales-Martínez, Xingxing Zhang, Wei Yang, Yaxing Wang, Antonio Rodríguez-Fortea, Josep M. Poblet, Lai Feng, Shuao Wang, and Ning Chen
Journal of the American Chemical Society (USA) , 2017, 139 , 5110 -5116 .
Tetracobalt-polyoxometalate catalysts for water oxidation: Key mechanistic details
Soriano-López, J.;Musaev, D.G.;Hill, C.L.;Galán-Mascarós, J.R.;Carbó, J.J.;Poblet, J.M.
Journal of Catalysis (USA) , 2017, 350 , 56 -63 .
Counterintuitive Adsorption of [PW11O39]7- on Au(100)
Lang, Z.;Aparicio-Anglès, X.;Weinstock, I.;Clotet, A.;Poblet, J.M.
Inorganic Chemistry (USA) , 2017, 56 , 3961 -3969 .
Assembly Mechanism of Zr-Containing and Other TM-Containing Polyoxometalates
Jiménez-Lozano, P.;Solé-Daura, A.;Wipff, G.;Poblet, J.M.;Chaumont, A.;Carbó, J.J.
Inorganic Chemistry (USA) , 2017, 56 , 4148 -4156 .
Real-time molecular scale observation of crystal formation
Schreiber, R.E.;Houben, L.;Wolf, S.G.;Leitus, G.;Lang, Z.-L.;Carbó, J.J.;Poblet, J.M.;Neumann, R.
Nature Chemistry (ENG) , 2017, 9 , 369 -373 .