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Computational aspects towards understanding the photoprocesses in eumelanin.
- Published in:
- WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1505
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- Article
Erratum: Majumder, S. et al. Zinc Oxide Nanoparticles Functionalized on Hydrogel Grafted Silk Fibroin Fabrics as Efficient Composite Dressing. Biomolecules 2020, 10, 710.
- Published in:
- 2020
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- Publication type:
- Correction Notice
Zinc Oxide Nanoparticles Functionalized on Hydrogel Grafted Silk Fibroin Fabrics as Efficient Composite Dressing.
- Published in:
- Biomolecules (2218-273X), 2020, v. 10, n. 5, p. 710, doi. 10.3390/biom10050710
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- Publication type:
- Article
Light‐induced excited spin‐state trapping in spin crossover model system.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26122
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- Article
Evolutionary algorithm based configuration interaction approach.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 6, p. 1, doi. 10.1002/qua.25509
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- Article
Excitation and ionization energies of unnatural nucleic acid bases: a computational approach.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 8, p. 1, doi. 10.1007/s00214-023-03009-5
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- Article
Multiscale modelling: hybrid quantum mechanics/molecular mechanics as an example and some recent developments.
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- Current Science (00113891), 2017, v. 112, n. 7, p. 1455, doi. 10.18520/cs/v112/i07/1455-1462
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- Publication type:
- Article
Accelerating convergence in iterative solution for large-scale complete active space self-consistent-field calculations.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 10, p. 2178, doi. 10.1002/qua.22099
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- Article
Effect of solvation on the ionization of guanine nucleotide: A hybrid QM/EFP study.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 29, p. 2528, doi. 10.1002/jcc.24913
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- Publication type:
- Article
An interaction energy driven biased sampling technique: A faster route to ionization spectra in condensed phase.
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- Journal of Computational Chemistry, 2017, v. 38, n. 26, p. 2248, doi. 10.1002/jcc.24875
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- Publication type:
- Article
Effective fragment potential method in Q-CHEM: A guide for users and developers.
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- Journal of Computational Chemistry, 2013, v. 34, n. 12, p. 1060, doi. 10.1002/jcc.23223
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- Publication type:
- Article