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Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 14

Results: 6

1

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.

Published in:

Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 972, doi. 10.1002/jcc.26853

By:

Maraf, Mbah Bake;
Idrice, Adjieufack Abel;
Mekoung Pélagie, Manwal A.;
Zintchem, Auguste Abouem A.;
Bebga, Gouet;
Rhyman, Lydia;
Ibrahim, Mbouombouo Ndassa;
Ramasami, Ponnadurai

Publication type:

Article

2

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

3

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>.

Published in:

Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 961, doi. 10.1002/jcc.26852

By:

Ali, Jemal Mohamed;
Mohammed, Ahmed Mustefa;
Mekonnen, Yedilfana Setarge

Publication type:

Article

4

Electronic structure, sodium diffusion and redox potentials of low‐symmetry NaMFe(MoO<sub>4</sub>)<sub>3</sub> (M = Mg, Ni).

Published in:

Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 953, doi. 10.1002/jcc.26851

By:

Serdtsev, Alexander V.;
Medvedeva, Nadezhda I.

Publication type:

Article

5

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

By:

Gkogka, Ioanna;
Glykos, Nicholas M.

Publication type:

Article

6

Issue Information.

Published in:: Journal of Computational Chemistry, 2022, v. 43, n. 14, p. 937, doi. 10.1002/jcc.26615
Publication type:: Article