Chemical reactivity in the framework of pair density functional theories.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 13, p. 1240, doi. 10.1002/jcc.22955
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 13
Results: 5
1
2
A stepwise retro-imino-ene as a key step in the mechanism of allene formation via the Crabbé acetylene homologation.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 13, p. 1236, doi. 10.1002/jcc.22954
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- Publication type:
- Article
3
Temperature dependence of vibrational modes of CH<sub>3</sub>CC<sub>(ads)</sub> and I<sub>(ads)</sub> coadsorbed on Ag(111): Ab initio molecular dynamics approach.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 13, p. 1274, doi. 10.1002/jcc.22958
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- Publication type:
- Article
4
Monomeric adenine decay dynamics influenced by the DNA environment.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 13, p. 1225, doi. 10.1002/jcc.22952
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- Publication type:
- Article
5
Beta-decomposition for the volume and area of the union of three-dimensional balls and their offsets.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 13, p. 1252, doi. 10.1002/jcc.22956
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- Publication type:
- Article