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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)

Sort by Publication Date:

|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

1 joint publications

Dana Nachtigallová

1 joint publications

Ron Shepard

1 joint publications

Thomas Müller

1 joint publications

Péter G Szalay

1 joint publications

Mayzza M Araújo do Nascimento

1 joint publications

Mario Barbatti

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

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