AOMadillo: A program for fitting angular overlap model parameters.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 2, p. 122, doi. 10.1002/jcc.27224
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 2
Results: 6
1
2
Toward accurate modeling of structure and energetics of bulk hexagonal boron nitride.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 2, p. 115, doi. 10.1002/jcc.27222
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- Publication type:
- Article
3
The stability of oxygen‐centered radicals and its response to hydrogen bonding interactions.
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- Journal of Computational Chemistry, 2024, v. 45, n. 2, p. 101, doi. 10.1002/jcc.27221
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- Publication type:
- Article
4
Accurate ab initio potential energy surface, rovibrational energy levels and resonance interactions of triplet (X~<sup>3</sup>B<sub>1</sub>) methylene.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 2, p. 83, doi. 10.1002/jcc.27220
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- Publication type:
- Article
5
Exploring phosphoryl oxygen basicity in U(VI) complexation: A comparative study from trialkyl phosphate to phosphine oxide.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 2, p. 70, doi. 10.1002/jcc.27219
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- Publication type:
- Article
6
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 2, p. 65, doi. 10.1002/jcc.27135
- Publication type:
- Article