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Computation of covalent and noncovalent structural parameters at low computational cost: Efficiency of the DH‐SVPD method.
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- International Journal of Quantum Chemistry, 2020, v. 120, n. 13, p. 1, doi. 10.1002/qua.26233
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- Article
A combined Monte Carlo/DFT approach to simulate UV‐vis spectra of molecules and aggregates: Merocyanine dyes as a case study.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 15, p. 1054, doi. 10.1002/jcc.26505
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- Article