Cover Image, Volume 35, Issue 18.
- Published in:
- 2014
- Publication type:
- Other
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 18
Results: 9
1
2
Site-directed analysis on protein hydrophobicity.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 18, p. 1364, doi. 10.1002/jcc.23631
- By:
- Publication type:
- Article
3
<sup>1</sup>H and <sup>13</sup>C NMR scaling factors for the calculation of chemical shifts in commonly used solvents using density functional theory.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 18, p. 1388, doi. 10.1002/jcc.23638
- By:
- Publication type:
- Article
4
Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFT.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 18, p. 1347, doi. 10.1002/jcc.23619
- By:
- Publication type:
- Article
5
Cover Image, Volume 35, Issue 18.
- Published in:
- 2014
- Publication type:
- Other
6
Performance of DFT+ U method for prediction of structural and thermodynamic parameters of monazite-type ceramics.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 18, p. 1339, doi. 10.1002/jcc.23618
- By:
- Publication type:
- Article
7
QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 18, p. 1395, doi. 10.1002/jcc.23640
- By:
- Publication type:
- Article
8
Pairwise decomposition of an MMGBSA energy function for computational protein design.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 18, p. 1371, doi. 10.1002/jcc.23637
- By:
- Publication type:
- Article
9
Cyclobutadiene automerization and rotation of ethylene: Energetics of the barriers by using Spin-polarized wave functions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 18, p. 1356, doi. 10.1002/jcc.23630
- By:
- Publication type:
- Article