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Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 22

Results: 7

1

Extended N‐centered ensemble density functional theory of double electronic excitations.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1945, doi. 10.1002/jcc.27387

By:

Cernatic, Filip;
Fromager, Emmanuel

Publication type:

Article

2

An efficient method by combining different basis sets and SAPT levels.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1936, doi. 10.1002/jcc.27386

By:

Deng, Zhihao;
Liu, Chang;
Li, Zhongwei;
Zhang, Yingsheng

Publication type:

Article

3

The Nobel history of computational chemistry. A personal perspective.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1921, doi. 10.1002/jcc.27383

By:

Boyd, Russell J.

Publication type:

Article

4

Expanding chalcogen bonds in thiophenes to interactions with halogens.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1914, doi. 10.1002/jcc.27368

By:

Ferreira, Bruna R.;
Martins, Francisco A.;
Freitas, Matheus P.

Publication type:

Article

5

Systematic improvement of empirical energy functions in the era of machine learning.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1899, doi. 10.1002/jcc.27367

By:

Devereux, Mike;
Boittier, Eric D.;
Meuwly, Markus

Publication type:

Article

6

Deep reinforcement learning in chemistry: A review.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1886, doi. 10.1002/jcc.27354

By:

Sridharan, Bhuvanesh;
Sinha, Animesh;
Bardhan, Jai;
Modee, Rohit;
Ehara, Masahiro;
Priyakumar, U. Deva

Publication type:

Article

7

Issue Information.

Published in:: Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1881, doi. 10.1002/jcc.27155
Publication type:: Article