A computational approach for modeling electronic circular dichroism of solvated chromophores.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 30, p. 2023, doi. 10.1002/jcc.27001
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 30
Results: 4
1
2
Modeling the spectral properties of poly(x-phenylenediamine) conducting polymers using a combined TD-DFT and electrostatic embedding approach.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 30, p. 2001, doi. 10.1002/jcc.26955
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- Publication type:
- Article
3
Modeling pyranose ring pucker in carbohydrates using machine learning and semi-empirical quantum chemical methods.
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- Journal of Computational Chemistry, 2022, v. 43, n. 30, p. 2009, doi. 10.1002/jcc.27000
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- Publication type:
- Article
4
On the origin of photodynamic activity of hypericin and its iodine-containing derivatives.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 30, p. 2037, doi. 10.1002/jcc.27002
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- Publication type:
- Article