Quantum simulation of metal-organic nanosensors

Lopez Acevedo, Olga (Principal investigator)
Lehtomäki, Jouko (Project Member)
Makkonen, Esko (Project Member)
Marín Suárez, Marco (Project Member)

Department of Applied Physics

Status	Finished
Effective start/end date	01/09/2017 → 31/08/2019

2 Article

Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal-organic clusters
Makkonen, E., Rossi, T. P., Larsen, A. H., Lopez-Acevedo, O., Rinke, P., Kuisma, M. & Chen, X., 21 Mar 2021, In: Journal of Chemical Physics. 154, 11, 8 p., 114102.
Research output: Contribution to journal › Article › Scientific › peer-review

Open Access
File
20 Citations (Scopus)

237 Downloads (Pure)
Silver-Stabilized Guanine Duplex: Structural and Optical Properties
Chen, X., Makkonen, E., Golze, D. & Lopez-Acevedo, O., 16 Aug 2018, In: Journal of Physical Chemistry Letters. 9, 16, p. 4789-4794 6 p.
Research output: Contribution to journal › Article › Scientific › peer-review

Open Access
File
15 Citations (Scopus)

166 Downloads (Pure)

Data and Scripts for "Real-Time Time-Dependent Density Functional Theory Implementation of Electronic Circular Dichroism Applied to Nanoscale Metal-Organic Clusters"
Makkonen, E. (Creator), Rossi, T. (Creator), Larsen, A. H. (Creator), Lopez Acevedo, O. (Creator), Rinke, P. (Creator) & Chen, X. (Creator), Zenodo, 1 Dec 2020
DOI: 10.5281/zenodo.4300009
Dataset