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Works matching IS 1432881X AND DT 2024 AND VI 143 AND IP 11

Results: 4

1

Investigating the regio-, chemo- and stereoselectivities of the [3 + 2] cycloaddition reaction of 1-pyrroline-1-oxide and C, N-diphenyl nitrone with a 1, 2-cyclooctadiene carboxylate: a DFT study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 11, p. 1, doi. 10.1007/s00214-024-03148-3

By:

Donkor, Gideon;
Aniagyei, Albert;
Obuah, Collins;
Kumi, Joshua Atta;
Adei, Evans

Publication type:

Article

2

Structure–property correlation to assist the design of organic blue emitters with thermally activated delayed fluorescence.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 11, p. 1, doi. 10.1007/s00214-024-03145-6

By:

Borislavova, Chara K.;
Djumayska, Simona B.;
Zagranyarski, Yulian D.;
Ivanova, Anela N.

Publication type:

Article

3

Something that matters.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 11, p. 1, doi. 10.1007/s00214-024-03156-3

By:

Sancho-García, J. C.

Publication type:

Article

4

Assessing and applying DFT approaches for geometries and UV–Vis absorption spectra of tetragonal iron(II) complexes.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 11, p. 1, doi. 10.1007/s00214-024-03150-9

By:

Martins Ramos, Vania;
Campana Severino, Bruno;
Milanez Brugnari, Fernanda;
de Lima Conceição, Lívia;
Santos Rocha, Amanda;
de Lima Batista, Ana Paula

Publication type:

Article