GUIDE: A GUI for automated quantum chemistry calculations.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 25, p. 2030, doi. 10.1002/jcc.27177
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2023 AND VI 44 AND IP 25
Results: 6
1
2
Computational NMR spectroscopy of <sup>205</sup>Tl.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 25, p. 2016, doi. 10.1002/jcc.27176
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- Publication type:
- Article
3
An information‐theoretic approach to basis‐set fitting of electron densities and other non‐negative functions.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 25, p. 1998, doi. 10.1002/jcc.27170
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- Publication type:
- Article
4
Chemical bonding of HF, HCl, and H2O onto YF3 surfaces: Quantification by first principles.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 25, p. 1986, doi. 10.1002/jcc.27168
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- Publication type:
- Article
5
Comparing the influence of explicit and implicit solvation models on site‐specific thermodynamic stability of proteins.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 25, p. 1976, doi. 10.1002/jcc.27167
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- Publication type:
- Article
6
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 25, p. 1971, doi. 10.1002/jcc.26919
- Publication type:
- Article