Study of absorption and emission spectra of substituted terthiophene compounds by methods of theoretical chemistry.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 16, p. 1404, doi. 10.1002/jcc.27336
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 16
Results: 9
1
2
Machine learning assisted analysis of equivalent circuit usage in electrochemical impedance spectroscopy applications.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 16, p. 1380, doi. 10.1002/jcc.27334
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- Publication type:
- Article
3
Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches.
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- Journal of Computational Chemistry, 2024, v. 45, n. 16, p. 1352, doi. 10.1002/jcc.27333
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- Publication type:
- Article
4
Thermal isomerization rates in retinal analogues using Ab‐Initio molecular dynamics.
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- Journal of Computational Chemistry, 2024, v. 45, n. 16, p. 1390, doi. 10.1002/jcc.27332
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- Publication type:
- Article
5
Chalcogen atom effect on the intersystem crossing kinetic constant of oxygen‐ and sulfur disubstituted heteroporphyrins.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 16, p. 1322, doi. 10.1002/jcc.27331
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- Publication type:
- Article
6
An enantioselective study of β‐cyclodextrin and ionic liquid‐β‐cyclodextrin towards propranolol enantiomers by molecular dynamic simulations.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 16, p. 1329, doi. 10.1002/jcc.27321
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- Publication type:
- Article
7
On the performance of composite schemes in determining equilibrium molecular structures.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 16, p. 1419, doi. 10.1002/jcc.27312
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- Publication type:
- Article
8
Development of a bottom‐up coarse‐grained model for interactions of lipids with TiO2 nanoparticles.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 16, p. 1364, doi. 10.1002/jcc.27310
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- Publication type:
- Article
9
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 16, p. 1317, doi. 10.1002/jcc.27149
- Publication type:
- Article