Francisco B C Machado

5PUBLICATIONS
29CO-AUTHORS
Metal cluster chemistryNumerical computation and mathematical softwareCondensed matter modelling and density functional theoryAtmospheric composition, chemistry and processesRadiation and matter
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Publications (5)

|Jul 09, 2021
The relativistic effects on the methane activation by gold(I) cations.

Régis T Santiago, Rafael M Vichietti, Francisco B C Machado

|Apr 10, 2020
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.

Hans Lischka, Ron Shepard, Thomas Müller

|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

|Jul 16, 2018
Accurate rovibrational energies of ozone isotopologues up to J = 10 utilizing artificial neural networks.

Corey Petty, Rene F K Spada, Francisco B C Machado

|Sep 10, 2017
Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI.

Andrew D Powell, Nikesh S Dattani, Rene F K Spada

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Frequent Collaborators

3 joint publications

Rene F K Spada

3 joint publications

Hans Lischka

2 joint publications

Adélia J A Aquino

1 joint publications

Baimei Shi