Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 14
Results: 6
Ab initio characterization of the aluminum dimer in its X3Πu and A3∑g− electronic states.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 986, doi. 10.1002/jcc.26857
- Publication type:
- Article
Decoding the reaction mechanism of the cyclocondensation of ethyl acetate2‐oxo‐2‐(4‐oxo‐4H‐pyrido [1.2‐a] pyrimidin‐3‐yl) polyazaheterocycle and ethylenediamine using bond evolution theory.
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- Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 972, doi. 10.1002/jcc.26853
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- Article
Mechanistic study on the coupling reaction of CO<sub>2</sub> with propylene oxide catalyzed by (CH<sub>3</sub>)<sub>4</sub>PI·MgCl<sub>2</sub>.
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- Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 961, doi. 10.1002/jcc.26852
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- Article
Electronic structure, sodium diffusion and redox potentials of low‐symmetry NaMFe(MoO<sub>4</sub>)<sub>3</sub> (M = Mg, Ni).
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- Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 953, doi. 10.1002/jcc.26851
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- Article
Folding molecular dynamics simulation of T‐peptide, a HIV viral entry inhibitor: Structure, dynamics, and comparison with the experimental data.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 942, doi. 10.1002/jcc.26850
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 937, doi. 10.1002/jcc.26615
- Publication type:
- Article