Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 29
Results: 10
Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: Bimetallic binding site and structured waters.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 29, p. 2096, doi. 10.1002/jcc.23724
- By:
- Publication type:
- Article
Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 29, p. 2107, doi. 10.1002/jcc.23725
- By:
- Publication type:
- Article
Using chiral molecules as an approach to address low-druggability recognition sites.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 29, p. 2114, doi. 10.1002/jcc.23726
- By:
- Publication type:
- Article
The solvent effect on two competing reaction mechanisms involving hypervalent iodine reagents ( λ<sup>3</sup>-iodanes): Facing the limit of the stationary quantum chemical approach.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 29, p. 2122, doi. 10.1002/jcc.23727
- By:
- Publication type:
- Article
A new set of atomic radii for accurate estimation of solvation free energy by Poisson-Boltzmann solvent model.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 29, p. 2132, doi. 10.1002/jcc.23728
- By:
- Publication type:
- Article
Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II).
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 29, p. 2146, doi. 10.1002/jcc.23740
- By:
- Publication type:
- Article
Controlling the oxidative addition of aryl halides to Au(I).
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 29, p. 2140, doi. 10.1002/jcc.23734
- By:
- Publication type:
- Article
Cover Image, Volume 35, Issue 29.
- Published in:
- 2014
- Publication type:
- Other
Cover Image, Volume 35, Issue 29.
- Published in:
- 2014
- Publication type:
- Other
Extension and validation of the GROMOS 53A6<sub> glyc</sub> parameter set for glycoproteins.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 29, p. 2087, doi. 10.1002/jcc.23721
- By:
- Publication type:
- Article