Basis set customization for modeling noncovalent interactions.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 19, p. 1, doi. 10.1002/qua.27183
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- Article
Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 19
Results: 9
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Selective separation of Am(III)/Eu(III) by effectively adjusting the aliphatic ring in bis‐1,2,4‐triazine ligands: A theoretical study.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 19, p. 1, doi. 10.1002/qua.27184
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- Publication type:
- Article
3
Gaussian expansion of Yukawa non‐local kinetic energy functionals: Application to metal clusters.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 19, p. 1, doi. 10.1002/qua.27188
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- Publication type:
- Article
4
A quantum chemical and kinetics study on the unimolecular reactions of fuel radicals formed during the oxidation of n‐propylamine.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 19, p. 1, doi. 10.1002/qua.27186
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- Publication type:
- Article
5
Spin‐tautomery of endohedral Y@C<sub>60</sub> complex.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 19, p. 1, doi. 10.1002/qua.27185
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- Publication type:
- Article
6
Biological and theoretical investigation of cyclohexylamine dithiocarbamate metal (II) complexes.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 19, p. 1, doi. 10.1002/qua.27191
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- Publication type:
- Article
7
Phosphorus, cobalt‐phosphorus, and nickel‐phosphorus clusters: Growth behavior, electronic, and magnetic properties.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 19, p. 1, doi. 10.1002/qua.27189
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- Publication type:
- Article
8
A discussion on the relativistic corrections of the electronic structures of multi‐electron atoms.
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- International Journal of Quantum Chemistry, 2023, v. 123, n. 19, p. 1, doi. 10.1002/qua.27182
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- Publication type:
- Article
9
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 19, p. 1, doi. 10.1002/qua.26944
- Publication type:
- Article