DFT/MRCI assessment of the excited‐state interplay in a coumarin‐schiff Mg<sup>2+</sup> fluorescent sensor.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 2, p. 136, doi. 10.1002/jcc.26086
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 2
Results: 10
1
2
FSATOOL: A useful tool to do the conformational sampling and trajectory analysis work for biomolecules.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 2, p. 156, doi. 10.1002/jcc.26083
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- Publication type:
- Article
3
The AQUA‐MER databases and aqueous speciation server: A web resource for multiscale modeling of mercury speciation.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 2, p. 147, doi. 10.1002/jcc.26081
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- Publication type:
- Article
4
Representations of Shavitt Graphs Within the Graphical Unitary Group Approach.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 2, p. 129, doi. 10.1002/jcc.26080
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- Publication type:
- Article
5
Mono‐silicon isoelectronic replacement in CAl<sub>4</sub>: van't hoff/le bel carbon or not?
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 2, p. 119, doi. 10.1002/jcc.26079
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- Publication type:
- Article
6
Recognizing five molecular ligand‐binding sites with similar chemical structure.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 2, p. 110, doi. 10.1002/jcc.26077
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- Publication type:
- Article
7
Investigation of binding mechanism and downregulation of elacestrant for wild and L536S mutant estrogen receptor‐α through molecular dynamics simulation and binding free energy analysis.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 2, p. 97, doi. 10.1002/jcc.26076
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- Publication type:
- Article
8
Homolytic Versus Heterolytic Bond Breaking in Functionalized [R‐C<sub>20</sub>H<sub>10</sub>]<sup>+</sup> Systems.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 2, p. 88, doi. 10.1002/jcc.26065
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- Publication type:
- Article
9
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 2, p. 83, doi. 10.1002/jcc.25880
- Publication type:
- Article
10
Cover Image, Volume 41, Issue 2.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 2, p. C1, doi. 10.1002/jcc.25879
- Publication type:
- Article