Variational properties of auxiliary density functionals.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 4, p. 1, doi. 10.1007/s00214-021-02731-2
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- Publication type:
- Article
Works by Mejia‐Rodriguez, Daniel
Results: 6
1
2
PTM‐Psi: A python package to facilitate the computational investigation of post‐translational modification on protein structures and their impacts on dynamics and functions.
- Published in:
- Protein Science: A Publication of the Protein Society, 2023, v. 32, n. 12, p. 1, doi. 10.1002/pro.4822
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- Publication type:
- Article
3
QM/MM Calculations with deMon2k.
- Published in:
- Molecules, 2015, v. 20, n. 3, p. 4780, doi. 10.3390/molecules20034780
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- Publication type:
- Article
4
Binding mechanism of full-length Aß40 peptide to a mixed lipid bilayer.
- Published in:
- Frontiers in Chemistry, 2024, p. 01, doi. 10.3389/fchem.2024.1367793
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- Publication type:
- Article
5
Current status of deMon2k for the investigation of the early stages of matter irradiation by time-dependent DFT approaches.
- Published in:
- European Physical Journal: Special Topics, 2023, v. 232, n. 13, p. 2167, doi. 10.1140/epjs/s11734-023-00905-6
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- Publication type:
- Article
6
Projector‐Based Quantum Embedding Study of Iron Complexes.
- Published in:
- Journal of Computational Chemistry, 2025, v. 46, n. 3, p. 1, doi. 10.1002/jcc.70043
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- Publication type:
- Article