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
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 22
Results: 10
1
2
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
- By:
- Publication type:
- Article
3
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
- By:
- Publication type:
- Article
4
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
- By:
- Publication type:
- Article
5
Cover Image, Volume 35, Issue 22.
- Published in:
- 2014
- Publication type:
- Other
6
Cover Image, Volume 35, Issue 22.
- Published in:
- 2014
- Publication type:
- Other
7
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
- By:
- Publication type:
- Article
8
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
- By:
- Publication type:
- Article
9
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
10
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