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Physical Chemistry Chemical Physics : PCCP|July 10, 2024
Towards reliable and efficient modeling of [Cu2O2]2+-based compound electronic structures with the partially fixed reference space protocolsMatheus Morato F de Moraes, Paweł TecmerThe Journal of Physical Chemistry. A|November 20, 2023
Multi-d-Occupancy as an Alternative Definition for the Double d-Shell EffectMatheus Morato F de Moraes, Yuri Alexandre AotoPhysical Chemistry Chemical Physics : PCCP|July 2, 2024
Delving into the catalytic mechanism of molybdenum cofactors: a novel coupled cluster studyMarta Gałyńska, Matheus Morato F de Moraes, Paweł Tecmer, et al.Journal of Chemical Theory and Computation|May 14, 2025
Frozen-Pair-Type pCCD-Based Methods and Their Double Ionization Variants to Predict Properties of Prototypical BN-Doped Light EmittersRam Dhari Pandey, Matheus Morato F de Moraes, Katharina Boguslawski, et al.Journal of Chemical Theory and Computation|May 29, 2024
Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical CorrelationRahul Chakraborty, Matheus Morato F de Moraes, Katharina Boguslawski, et al.Physical Chemistry Chemical Physics : PCCP|October 19, 2020
Can one use the electronic absorption spectra of metalloporphyrins to benchmark electronic structure methods? A case study on the cobalt porphyrinJhonathan Rosa de Souza, Matheus Morato F de Moraes, Yuri Alexandre Aoto, et al.Pageof 1