2024

Publication Types:

Beyond Explored Functionals: A Computational Journey of Two-Photon Absorption

2020-20242024Journal Article
I.A. Elayan, L. Rib, R.A. Mendes, and A. Brown
J. Chem. Theory Comput., 20(9) 3879–3893
Publication year: 2024

Anharmonic vibrational spectroscopy of germanium-containing clusters, GexC4-x and GexSi4−x (x = 0-4), for interstellar detection

2020-20242024Journal Article
A.M. Flowers, A. Brown, and M. Klobukowski
J. Phys. Chem. A
Publication year: 2024

A Variant on the CREST Algorithm for Non-Covalent Clusters of Flexible Molecules

2020-20242024Journal Article
N.J. King, I. LeBlanc, and A. Brown
J. Comp. Chem, accepted
Publication year: 2024

A density functional theory benchmark on anti-oxidant-related properties of polyphenols

2020-20242024Journal Article
R.A. Mendes, V.A.S. da Mata, A. Brown, and G.L.C. de Souza
Phys. Chem. Chem. Phys. 26, 8613-8622
Publication year: 2024