A reaction route network for methanol decomposition on a Pt(111) surface.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 30, p. 2163, doi. 10.1002/jcc.26746
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2021 AND VI 42 AND IP 30
Results: 8
1
2
Cover Image.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 30, p. i, doi. 10.1002/jcc.26771
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- Publication type:
- Article
3
Mixed‐solvent molecular dynamics simulation‐based discovery of a putative allosteric site on regulator of G protein signaling 4.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 30, p. 2170, doi. 10.1002/jcc.26747
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- Publication type:
- Article
4
Property‐oriented basis sets for computation of atomization energies.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 30, p. 2154, doi. 10.1002/jcc.26745
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- Publication type:
- Article
5
ePharmer: An integrated and graphical software for pharmacophore‐based virtual screening.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 30, p. 2181, doi. 10.1002/jcc.26743
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- Publication type:
- Article
6
Another look at energetically quasi‐degenerate structures of the gold cluster Au<sub>27</sub><sup>q</sup> with q = 1, 0, −1.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 30, p. 2145, doi. 10.1002/jcc.26744
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- Publication type:
- Article
7
Momentum removal to obtain the position‐dependent diffusion constant in constrained molecular dynamics simulation.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 30, p. 2136, doi. 10.1002/jcc.26742
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- Publication type:
- Article
8
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 30, p. 2131, doi. 10.1002/jcc.26341
- Publication type:
- Article