Cover Image, Volume 35, Issue 10.
- Published in:
- 2014
- Publication type:
- Other
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 10
Results: 10
1
2
Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark study on DFT strategies addressing dispersion interactions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 10, p. 809, doi. 10.1002/jcc.23558
- By:
- Publication type:
- Article
3
LUMPAC lanthanide luminescence software: Efficient and user friendly.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 10, p. 772, doi. 10.1002/jcc.23542
- By:
- Publication type:
- Article
4
Cover Image, Volume 35, Issue 10.
- Published in:
- 2014
- Publication type:
- Other
5
Efficient computation of root mean square deviations under rigid transformations.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 10, p. 765, doi. 10.1002/jcc.23513
- By:
- Publication type:
- Article
6
Fully atomistic molecular-mechanical model of liquid alkane oils: Computational validation.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 10, p. 776, doi. 10.1002/jcc.23546
- By:
- Publication type:
- Article
7
The total Position Spread in mixed-valence compounds: A study on the.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 10, p. 802, doi. 10.1002/jcc.23557
- By:
- Publication type:
- Article
8
Cover Image, Volume 35, Issue 10.
- Published in:
- 2014
- Publication type:
- Other
9
A polarizable empirical force field for molecular dynamics simulation of liquid hydrocarbons.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 10, p. 789, doi. 10.1002/jcc.23551
- By:
- Publication type:
- Article
10
Properties of atoms in electronically excited molecules within the formalism of TDDFT.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 10, p. 820, doi. 10.1002/jcc.23559
- By:
- Publication type:
- Article