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Hans Lischka

9PUBLICATIONS

35CO-AUTHORS

Metal organic frameworksTheoretical quantum chemistryNumerical computation and mathematical softwareCondensed matter modelling and density functional theoryPhotonics, optoelectronics and optical communications

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Publications (9)

Sort by Publication Date:

|Mar 16, 2021

Reaction mechanism for fluorination reactions with hydroxylated alumina sites: Pathways promoting aluminum combustion.

Daniel Tunega, Michelle L Pantoya, Reed Nieman

|Jan 30, 2021

Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers.

Daniel C A Valente, Mariana T do Casal, Mario Barbatti

|Apr 10, 2020

The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.

Hans Lischka, Ron Shepard, Thomas Müller

|Feb 03, 2020

Benchmark ab initio calculations on intermolecular structures and the exciton character of poly(p-phenylenevinylene) dimers.

Reed Nieman, Adelia J A Aquino, Hans Lischka

|Apr 01, 2019

High-level theoretical benchmark investigations of the UV-vis absorption spectra of paradigmatic polycyclic aromatic hydrocarbons as models for graphene quantum dots.

Baimei Shi, Dana Nachtigallová, Adélia J A Aquino

|Nov 17, 2018

Electronic structure theory gives insights into the higher efficiency of the PTB electron-donor polymers for organic photovoltaics in comparison with prototypical P3HT.

Lucas Modesto-Costa, Itamar Borges, Adélia J A Aquino

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Frequent Collaborators

5 joint publications

Adélia J A Aquino

3 joint publications

Francisco B C Machado

3 joint publications

Reed Nieman

2 joint publications

Felix Plasser

2 joint publications

Rene F K Spada

2 joint publications

Itamar Borges

2 joint publications

Mario Barbatti

1 joint publications

Jani Kotakoski

1 joint publications

Toma Susi

1 joint publications

Lucas Modesto-Costa

Frequent Collaborators

5 joint publications

Adélia J A Aquino

3 joint publications

Francisco B C Machado

3 joint publications

Reed Nieman

2 joint publications

Felix Plasser

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