Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 32
Results: 5
Development of QM/MM (ABEEM polarizable force field) method to simulate the excision reaction mechanism of damaged cytosine.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 32, p. 2139, doi. 10.1002/jcc.27008
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- Publication type:
- Article
Benchmark of density functional theory methods for the study of organic polysulfides.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 32, p. 2131, doi. 10.1002/jcc.27007
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- Publication type:
- Article
Toward more potent imidazopyridine inhibitors of Candida albicans Bdf1: Modeling the role of structural waters in selective ligand binding.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 32, p. 2121, doi. 10.1002/jcc.26997
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- Publication type:
- Article
Sensitivity of coupled cluster electronic properties on the reference determinant: Can Kohn–Sham orbitals be more beneficial than Hartree–Fock orbitals?
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 32, p. 2103, doi. 10.1002/jcc.26996
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 32, p. 2099, doi. 10.1002/jcc.26687
- Publication type:
- Article