Cover Image.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 21, p. i, doi. 10.1002/jcc.26961
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 21
Results: 7
1
2
Multiscale modeling of stochastic dynamics processes with MBN Explorer.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 21, p. 1442, doi. 10.1002/jcc.26948
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- Publication type:
- Article
3
Tree Parzen estimator for global geometry optimization: A benchmark and database of experimental gas‐phase structures of organic molecules.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 21, p. 1434, doi. 10.1002/jcc.26947
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- Publication type:
- Article
4
Dipolar 1,3‐cycloaddition of thioformaldehyde S‐methylide (CH<sub>2</sub>SCH<sub>2</sub>) to ethylene and acetylene. A comparison with (valence) isoelectronic O<sub>3</sub>, SO<sub>2</sub>, CH<sub>2</sub>OO and CH<sub>2</sub>SO.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 21, p. 1420, doi. 10.1002/jcc.26946
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- Publication type:
- Article
5
Assessment of density functional approximations for N<sub>2</sub> and CO<sub>2</sub> physisorption on benzene and graphene.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 21, p. 1403, doi. 10.1002/jcc.26945
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- Publication type:
- Article
6
Assessment of DLPNO‐CCSD(T)‐F12 and its use for the formulation of the low‐cost and reliable L‐W1X composite method.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 21, p. 1394, doi. 10.1002/jcc.26892
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- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 21, p. 1389, doi. 10.1002/jcc.26643
- Publication type:
- Article