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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Ab initio calculations on pi-stacked thiophene dimer, trimer, and tetramer: structure, interaction energy,

Francisco Rodríguez-Ropero1, Jordi Casanovas, Carlos Alemán

  • 1Departament d'Enginyeria Química, ETS d'Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, E-08028 Barcelona, Spain.

Journal of Computational Chemistry
|June 27, 2007
PubMed

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