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Works matching IS 01928651 AND DT 2023 AND VI 44 AND IP 1

Results: 6

1

Cover Image.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 1, p. i, doi. 10.1002/jcc.27045

By:

Gorantla, Sai Manoj N. V. T.;
Karnamkkott, Harsha S.;
Arumugam, Selvakumar;
Mondal, Sangita;
Mondal, Kartik Chandra

Publication type:

Article

2

Stability and bonding of carbon(0)‐iron−N<sub>2</sub> complexes relevant to nitrogenase co‐factor: EDA‐NOCV analyses.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 1, p. 43, doi. 10.1002/jcc.27012

By:

Gorantla, Sai Manoj N. V. T.;
Karnamkkott, Harsha S.;
Arumugam, Selvakumar;
Mondal, Sangita;
Mondal, Kartik Chandra

Publication type:

Article

3

An automated method for graph‐based chemical space exploration and transition state finding.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 1, p. 27, doi. 10.1002/jcc.27011

By:

Ramos‐Sánchez, Pablo;
Harvey, Jeremy N.;
Gámez, José A.

Publication type:

Article

4

Effect of ZrS<sub>2</sub> load single/dual‐atom catalysts on the hydrogen evolution reaction: A first‐principles study.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 1, p. 15, doi. 10.1002/jcc.27010

By:

Dong, Shizhi;
Li, Yanshuai;
Hu, Hongyu;
Li, Ruichuan;
Yan, Bing;
Zhang, Xing;
Wang, Zeliang;
Zhang, Jinyu;
Guo, Lin

Publication type:

Article

5

Solvent effects in four‐component relativistic electronic structure theory based on the reference interaction‐site model.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 1, p. 5, doi. 10.1002/jcc.27009

By:

Kanemaru, Kodai;
Watanabe, Yoshihiro;
Yoshida, Norio;
Nakano, Haruyuki

Publication type:

Article

6

Issue Information.

Published in:: Journal of Computational Chemistry, 2023, v. 44, n. 1, p. 1, doi. 10.1002/jcc.26895
Publication type:: Article