Browsing Departament de Química by Subject "535"

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Decomposition of (non)linear optical properties

Montilla Busquets, Marc (Date of defense: 2024-10-22)

ENG- In the field of the decomposition of optical properties, there is a very clear issue that has to be solved: whenever one of these molecular properties is decomposed into atomic contributions or fragment contributions, ...

Desenvolupament, implementació i aplicació de nova metodologia pel càlcul de la contribució vibracional a les propietats elèctriques: contribucions de relaxació nuclear i curvatura

Luis Luis, Josep Maria (Date of defense: 1999-06-28)

The vibrational contribution to nonlinear optics (NLO) properties is the mean goal of study of this Thesis. The vibrational contribution can be split in the nuclear relaxation contribution and the curvature contribution. ...