Issue information.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 6, p. n/a, doi. 10.1002/qua.25245
- Publication type:
- Article
Works matching IS 00207608 AND DT 2017 AND VI 117 AND IP 6
Results: 8
1
2
Cover Image, Volume 117, Issue 6.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 6, p. n/a, doi. 10.1002/qua.25246
- Publication type:
- Article
3
Structures, stabilities, and electronic properties of fullerene C<sub>36</sub> with endohedral atomic Sc, Y, and La: A dispersion-corrected DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 6, p. n/a, doi. 10.1002/qua.25335
- By:
- Publication type:
- Article
4
Toward more efficient density-based adaptive QM/MM methods.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 6, p. n/a, doi. 10.1002/qua.25336
- By:
- Publication type:
- Article
5
On the applicability of time-dependent density functional theory (TDDFT) and semiempirical methods to the computation of excited-state potential energy surfaces of perylene-based dye-aggregates.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 6, p. n/a, doi. 10.1002/qua.25337
- By:
- Publication type:
- Article
6
Rovibrational spectra of bounded diatomic molecules.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 6, p. n/a, doi. 10.1002/qua.25339
- By:
- Publication type:
- Article
7
Initial reaction mechanism between HO· and bisphenol-F: Conformational dependence and the role of nonbond interactions.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 6, p. n/a, doi. 10.1002/qua.25342
- By:
- Publication type:
- Article
8
An insight into CH···N hydrogen bond and stability of the complexes formed by trihalomethanes with ammonia and its monohalogenated derivatives.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 6, p. n/a, doi. 10.1002/qua.25338
- By:
- Publication type:
- Article