Quantum delocalization of benzene in the ring puckering coordinates.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 8, p. 534, doi. 10.1002/qua.24606
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2014 AND VI 114 AND IP 8
Results: 9
1
2
Prediction of the pH-rate profile for dimethyl sulfide oxidation by hydrogen peroxide: The role of elusive H<sub>3</sub>O<sub>2</sub><sup>+</sup> Ion.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 8, p. 501, doi. 10.1002/qua.24594
- By:
- Publication type:
- Article
3
Charge distribution in homonuclear bonds: A semiempirical modeling.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 8, p. 493, doi. 10.1002/qua.24598
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- Publication type:
- Article
4
Methods for describing open-shell systems: Following the trail of Rosa Caballol's research.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 8, p. 481, doi. 10.1002/qua.24601
- By:
- Publication type:
- Article
5
Cover Image, Volume 114, Issue 8.
- Published in:
- 2014
- Publication type:
- Other
6
Electronic properties of the low-lying spin states of dimethylnitrosamine coordinated to Fe(III) heme models: An ab initio study.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 8, p. 508, doi. 10.1002/qua.24595
- By:
- Publication type:
- Article
7
Ab initio investigations on the stabilities of AuO<sub> n</sub><sup> q−</sup> ( q = 0 to 3; n = 1 to 4) species: Superhalogen behavior of AuO<sub>n</sub> ( n ≥ 2) and their interactions with an alkali metal.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 8, p. 521, doi. 10.1002/qua.24599
- By:
- Publication type:
- Article
8
Inside Cover, Volume 114, Issue 8.
- Published in:
- 2014
- Publication type:
- Other
9
Charge distribution in Mn(salen) complexes.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 8, p. 525, doi. 10.1002/qua.24604
- By:
- Publication type:
- Article