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Luciano T Costa

3PUBLICATIONS

9CO-AUTHORS

Theory and design of materialsMetal organic frameworksBiomolecular modelling and design

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Publications (3)

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|Aug 03, 2021

The structure of CO<sub>2</sub> and CH<sub>4</sub> at the interface of a poly(urethane urea) oligomer model from the microscopic point of view.

Flavia Cristina Assis Silva, Tuanan da Costa Lourenço, David van der Spoel

|Jul 16, 2021

Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe<sup>3+</sup>, Al<sup>3+</sup>, and Cu<sup>2</sup>.

Giane B Damas, Luciano T Costa, Rajeev Ahuja

|Sep 03, 2020

A potential for molecular simulation of compounds with linear moieties.

David van der Spoel, Henning Henschel, Paul J van Maaren

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Frequent Collaborators

2 joint publications

David van der Spoel

1 joint publications

Henning Henschel

1 joint publications

Paul J van Maaren

1 joint publications

Mohammad M Ghahremanpour

1 joint publications

Giane B Damas

1 joint publications

Rajeev Ahuja

1 joint publications

C Moyses Araujo

1 joint publications

Flavia Cristina Assis Silva

1 joint publications

Tuanan da Costa Lourenço

Frequent Collaborators

2 joint publications

David van der Spoel

1 joint publications

Henning Henschel

1 joint publications

Paul J van Maaren

1 joint publications

Mohammad M Ghahremanpour

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