Leonardo A. Cunha

P <scp>si</scp> 4N <scp>um</scp> P <scp>y</scp> : An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

Daniel G. A. Smith, Lori A. Burns, Dominic A. Sirianni et al. · Journal of Chemical Theory and Computation · 2018 · 158 citations

Natural Sciences, Chemistry, Computational Chemistry +14

Theoretical and experimental study for the biomimetic recognition of levothyroxine hormone on magnetic molecularly imprinted polymer

Silio Lima Moura, Laura Martinez Fajardo, Leonardo A. Cunha et al. · Biosensors and Bioelectronics · 2018 · 54 citations · Full text

Natural Sciences, Biochemistry, Endocrinology +15

Electron-Affinity Time-Dependent Density Functional Theory: Formalism and Applications to Core-Excited States

Kevin Carter-Fenk, Leonardo A. Cunha, Juan E. Arias-Martinez et al. · The Journal of Physical Chemistry Letters · 2022 · 38 citations · Full text

Natural Sciences, Chemistry, Physics +17

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development

Daniel G. A. Smith, Lori A. Burns, Dominic A. Sirianni et al. · ChemRxiv · 2018 · 32 citations · Full text

Natural Sciences, Chemistry, Computer Science +13

Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approach

Juan E. Arias-Martinez, Leonardo A. Cunha, Katherine J. Oosterbaan et al. · Physical Chemistry Chemical Physics · 2022 · 32 citations · Full text

Natural Sciences, Chemistry, Physics +17