Found: 10
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Density functional theory study on mechanisms of epoxy-phenol curing reaction.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 22, p. 1630, doi. 10.1002/jcc.23658
- By:
- Publication type:
- Article
A graph-based short-cut to low-energy structures.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 22, p. 1618, doi. 10.1002/jcc.23669
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- Publication type:
- Article
Dimetallic sulfide endohedral metallofullerene Sc<sub>2</sub>S@C<sub>76</sub>: Density functional theory characterization.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 22, p. 1657, doi. 10.1002/jcc.23671
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- Publication type:
- Article
Theoretical study on the gas phase reaction of propargyl alcohol with hydroxyl radical.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 22, p. 1646, doi. 10.1002/jcc.23670
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- Publication type:
- Article
Cover Image, Volume 35, Issue 22.
- Published in:
- 2014
- Publication type:
- Other
Cover Image, Volume 35, Issue 22.
- Published in:
- 2014
- Publication type:
- Other
Evolution of chemical bonding and electron density rearrangements during D<sub>3h</sub> → D<sub>3d</sub> reaction in monolayered TiS<sub>2</sub>: A QTAIM and ELF study.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 22, p. 1641, doi. 10.1002/jcc.23662
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- Publication type:
- Article
Implicit treatment of solvent dispersion forces in protein simulations.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 22, p. 1621, doi. 10.1002/jcc.23655
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- Publication type:
- Article
A two-scale approach to electron correlation in multiconfigurational perturbation theory.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 22, p. 1609, doi. 10.1002/jcc.23666
- By:
- Publication type:
- Article
Metalophilic interaction in gold halide: Quantum chemical study of AuX (X=F-At).
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 22, p. 1664, doi. 10.1002/jcc.23665
- By:
- Publication type:
- Article