João V M Pimentel

5PUBLICATIONS
5CO-AUTHORS
Theoretical quantum chemistryMetal cluster chemistryComputational chemistryTheory and design of materialsOrganic semiconductors
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Publications (5)

|Jun 17, 2026
Coarse-Grained Free Energy Surface with Implicit Nuclear Quantum Effects: Benzene Clusters.

|Oct 08, 2025
Erratum: "From all-atom to rigid monomer treatment of molecular clusters" [J. Chem. Phys. 162, 214101 (2025)].

João V M Pimentel, Vladimir A Mandelshtam

|Oct 01, 2025
A computationally efficient subspace harmonic relaxation algorithm for coarse-graining of molecular systems with nearly exact thermodynamic consistency.

João V M Pimentel, Vladimir A Mandelshtam

|Jun 02, 2025
From all-atom to rigid monomer treatment of molecular clusters.

João V M Pimentel, Vladimir A Mandelshtam

|Jan 06, 2025
Thermally Activated Delayed Fluorescence in B,N-Substituted Tetracene Derivatives: A Theoretical Pathway to Enhanced OLED Materials.

J V M Pimentel, J C V Chagas, M Pinheiro

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Frequent Collaborators

4 joint publications

Vladimir A Mandelshtam

1 joint publications

M Pinheiro

1 joint publications

A J A Aquino

1 joint publications

H Lischka