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Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 4

Results: 6

1

Correction to "Terminal end‐on coordination of dinitrogen vs. isoelectronic CO: A comparison using the charge displacement analysis".

Published in:: Journal of Computational Chemistry, 2024, v. 45, n. 4, p. 230, doi. 10.1002/jcc.27241
Publication type:: Article

2

Self‐consistent field method for open‐shell systems within the density‐matrix functional theory.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 4, p. 222, doi. 10.1002/jcc.27232

By:

Irimia, Marinela;
Wang, Jian

Publication type:

Article

3

Tuning ultrafast time‐evolution of photo‐induced charge‐transfer states: A real‐time electronic dynamics study in substituted indenotetracene derivatives.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 4, p. 210, doi. 10.1002/jcc.27231

By:

Crisci, Luigi;
Coppola, Federico;
Petrone, Alessio;
Rega, Nadia

Publication type:

Article

4

Impact of dielectric constant of solvent on the formation of transition metal‐ammine complexes.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 4, p. 204, doi. 10.1002/jcc.27230

By:

Manna, Debashree;
Lo, Rabindranath;
Miriyala, Vijay Madhav;
Nachtigallová, Dana;
Trávníček, Zdeněk;
Hobza, Pavel

Publication type:

Article

5

Correcting charge distribution in reduced Li‐molecule pair for computational screening of battery solvents.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 4, p. 197, doi. 10.1002/jcc.27229

By:

Orekhov, M. A.

Publication type:

Article

6

Issue Information.

Published in:: Journal of Computational Chemistry, 2024, v. 45, n. 4, p. 193, doi. 10.1002/jcc.27137
Publication type:: Article