TUPÃ: Electric field analyses for molecular simulations.
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- Journal of Computational Chemistry, 2022, v. 43, n. 16, p. 1113, doi. 10.1002/jcc.26873
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 16
Results: 7
1
2
Endo‐ and exohedral complexes of superphane with cations.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 16, p. 1120, doi. 10.1002/jcc.26874
- Publication type:
- Article
3
Data‐driven and constrained optimization of semi‐local exchange and nonlocal correlation functionals for materials and surface chemistry.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 16, p. 1104, doi. 10.1002/jcc.26872
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- Publication type:
- Article
4
Polarization energies in the fragment molecular orbital method.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 16, p. 1094, doi. 10.1002/jcc.26869
- Publication type:
- Article
5
Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N‐heterocycles.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 16, p. 1079, doi. 10.1002/jcc.26866
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- Publication type:
- Article
6
A fast approximate extension of the interacting quantum atoms energy decomposition to excited states.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 16, p. 1068, doi. 10.1002/jcc.26863
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- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 16, p. 1063, doi. 10.1002/jcc.26623
- Publication type:
- Article