Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 14
Results: 5
Assessment of intermolecular interactions at three sites of the arylalkyne in phenylacetylene-containing lithium-bonded complexes: Ab initio and QTAIM studies.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 14, p. 1321, doi. 10.1002/jcc.22962
- By:
- Publication type:
- Article
Cellulose-Builder: A toolkit for building crystalline structures of cellulose.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 14, p. 1338, doi. 10.1002/jcc.22959
- By:
- Publication type:
- Article
Thermodynamics of chemical reactions with COSMO-RS: The extreme case of charge separation or recombination.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 14, p. 1304, doi. 10.1002/jcc.22961
- By:
- Publication type:
- Article
Diagnosis of the performance of the state-specific multireference coupled-cluster method with different truncation schemes.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 14, p. 1285, doi. 10.1002/jcc.22960
- By:
- Publication type:
- Article
Unexpectedly strong anion-π interactions on the graphene flakes.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 14, p. 1328, doi. 10.1002/jcc.22964
- By:
- Publication type:
- Article