Conductor-like screening model for relaxed excited states: Implementation in the semiempirical method MSINDO.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 7, p. 553, doi. 10.1002/jcc.23519
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 7
Results: 10
1
2
Cover Image, Volume 35, Issue 7.
- Published in:
- 2014
- Publication type:
- Other
3
Effect of substitutionally boron-doped single-walled semiconducting zigzag carbon nanotubes on ammonia adsorption.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 7, p. 586, doi. 10.1002/jcc.23526
- By:
- Publication type:
- Article
4
Decoding the components of dynamics in three-domain proteins.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 7, p. 518, doi. 10.1002/jcc.23510
- By:
- Publication type:
- Article
5
Cover Image, Volume 35, Issue 7.
- Published in:
- 2014
- Publication type:
- Other
6
Iron-sulfur bond covalency from electronic structure calculations for classical iron-sulfur clusters.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 7, p. 540, doi. 10.1002/jcc.23518
- By:
- Publication type:
- Article
7
Cover Image, Volume 35, Issue 7.
- Published in:
- 2014
- Publication type:
- Other
8
Electron localizability indicators from spinor wavefunctions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 7, p. 565, doi. 10.1002/jcc.23524
- By:
- Publication type:
- Article
9
Importance of ligand conformational energies in carbohydrate docking: Sorting the wheat from the chaff.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 7, p. 526, doi. 10.1002/jcc.23517
- By:
- Publication type:
- Article
10
Coupled-cluster reaction barriers of.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 7, p. 507, doi. 10.1002/jcc.23458
- By:
- Publication type:
- Article