Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 10
Results: 12
Hydrogen-hydrogen bonding: The current density perspective.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 10, p. 707, doi. 10.1002/jcc.23841
- By:
- Publication type:
- Article
Deformation of single-walled carbon nanotubes by interaction with graphene: A first-principles study.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 10, p. 717, doi. 10.1002/jcc.23844
- By:
- Publication type:
- Article
Origin-independent sum over states simulations of magnetic and electronic circular dichroism spectra via the localized orbital/local origin method.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 10, p. 723, doi. 10.1002/jcc.23845
- By:
- Publication type:
- Article
The multieffects of DMF and DBU on the [5 + 1] benzannulation of nitroethane and α-alkenoyl ketene-( S,S)-acetals: Hydrogen bonding and electrostatic interactions.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 10, p. 731, doi. 10.1002/jcc.23846
- By:
- Publication type:
- Article
Cover Image, Volume 36, Issue 10.
- Published in:
- 2015
- Publication type:
- Other
Cover Image, Volume 36, Issue 10.
- Published in:
- 2015
- Publication type:
- Other
Cover Image, Volume 36, Issue 10.
- Published in:
- 2015
- Publication type:
- Other
On combining Thole's induced point dipole model with fixed charge distributions in molecular mechanics force fields.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 10, p. 739, doi. 10.1002/jcc.23850
- By:
- Publication type:
- Article
Stability of ion triplets in ionic liquid/lithium salt solutions: Insights from implicit and explicit solvent models and molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 10, p. 751, doi. 10.1002/jcc.23853
- By:
- Publication type:
- Article
Enhanced conformational sampling method for proteins based on the Ta Boo Se Arch algorithm: Application to the folding of a mini-protein, chignolin.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 10, p. 763, doi. 10.1002/jcc.23854
- By:
- Publication type:
- Article
How does a hydrocarbon staple affect peptide hydrophobicity?
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 10, p. 773, doi. 10.1002/jcc.23859
- By:
- Publication type:
- Article
Electronic structure and microscopic charge-transport properties of a new-type diketopyrrolopyrrole-based material.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 10, p. 695, doi. 10.1002/jcc.23825
- By:
- Publication type:
- Article