The explicit role of electron exchange in the hydrogen bonded molecular complexes.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 12, p. 870, doi. 10.1002/jcc.26507
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2021 AND VI 42 AND IP 12
Results: 7
1
2
Efficient mesh refinement for the Poisson‐Boltzmann equation with boundary elements.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 12, p. 855, doi. 10.1002/jcc.26506
- By:
- Publication type:
- Article
3
New insights in chemical reactivity from quantum chemical topology.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 12, p. 840, doi. 10.1002/jcc.26504
- By:
- Publication type:
- Article
4
Efficient hierarchical models for reactivity of organic layers on semiconductor surfaces.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 12, p. 827, doi. 10.1002/jcc.26503
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- Publication type:
- Article
5
A computational study of the reaction mechanism involved in the fast cleavage of an unconstrained amide bond assisted by an amine intramolecular nucleophilic attack.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 12, p. 818, doi. 10.1002/jcc.26501
- By:
- Publication type:
- Article
6
Interstitial carbon defects in silicon. A quantum mechanical characterization through the infrared and Raman spectra.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 12, p. 806, doi. 10.1002/jcc.26500
- By:
- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 12, p. 801, doi. 10.1002/jcc.26270
- Publication type:
- Article