How much tetraradical character is present in the Si<sub>6</sub>Ge<sub>9</sub> cluster?
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 12, p. 944, doi. 10.1002/jcc.23580
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 12
Results: 11
1
2
ST-analyzer: A web-based user interface for simulation trajectory analysis.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 12, p. 957, doi. 10.1002/jcc.23584
- By:
- Publication type:
- Article
3
Metalophilic interaction in gold halide: Quantum chemical study of AuX (X = Fat).
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 12, p. 923, doi. 10.1002/jcc.23577
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- Publication type:
- Article
4
Cover Image, Volume 35, Issue 12.
- Published in:
- 2014
- Publication type:
- Other
5
Exchange coupling and magnetic anisotropy in a family of bipyrimidyl radical-bridged dilanthanide complexes: Density functional theory and ab initio calculations.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 12, p. 904, doi. 10.1002/jcc.23565
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- Publication type:
- Article
6
Rapid determination of RMSDs corresponding to macromolecular rigid body motions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 12, p. 950, doi. 10.1002/jcc.23569
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- Publication type:
- Article
7
Cover Image, Volume 35, Issue 12.
- Published in:
- 2014
- Publication type:
- Other
8
Cooperativity and cluster growth patterns in acetonitrile: A DFT study.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 12, p. 910, doi. 10.1002/jcc.23575
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- Publication type:
- Article
9
A Bayesian statistical approach of improving knowledge-based scoring functions for protein-ligand interactions.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 12, p. 932, doi. 10.1002/jcc.23579
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- Publication type:
- Article
10
Cover Image, Volume 35, Issue 12.
- Published in:
- 2014
- Publication type:
- Other
11
Towards the design of novel boron- and nitrogen-substituted ammonia-borane and bifunctional arene ruthenium catalysts for hydrogen storage.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 12, p. 891, doi. 10.1002/jcc.23534
- By:
- Publication type:
- Article