Cover Image, Volume 117, Issue 4.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 4, p. n/a, doi. 10.1002/qua.25242
- Publication type:
- Article
Works matching IS 00207608 AND DT 2017 AND VI 117 AND IP 4
Results: 10
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Stability of the chlorinated derivatives of the DNA/RNA nucleobases, purine and pyrimidine toward radical formation via homolytic CCl bond dissociation.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 4, p. n/a, doi. 10.1002/qua.25319
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- Publication type:
- Article
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Issue information.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 4, p. n/a, doi. 10.1002/qua.25241
- Publication type:
- Article
4
Solvent effect on the tautomers' stabilities of protonated N, N-dimethylnitrosamine: The role of hydrogen bonds network.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 4, p. n/a, doi. 10.1002/qua.25311
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- Publication type:
- Article
5
The self-consistent charge density functional tight-binding theory study of carbon adatoms using tuned Hubbard U parameters.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 4, p. n/a, doi. 10.1002/qua.25320
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- Publication type:
- Article
6
On the origin of the relative stability of Zn<sup>II</sup>NTA and Zn<sup>II</sup>NTPA metal complexes. An insight from the IQA, IQF, and π-FARMS methods.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 4, p. n/a, doi. 10.1002/qua.25321
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- Publication type:
- Article
7
Spin-orbit ab initio and density functional theory investigation of bismuth monoboronyl, BiBO.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 4, p. n/a, doi. 10.1002/qua.25324
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- Article
8
Theoretical study on the reaction mechanisms and stereoselectivities of DABCO-catalyzed Rauhut-Currier/cyclization reaction of methyl acrylate with 2-benzoyl-3-phenyl-acrylonitrile.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 4, p. n/a, doi. 10.1002/qua.25325
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- Publication type:
- Article
9
A computational study of substituent effects on the stability and geometry of carbazole-pyridine complexes.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 4, p. n/a, doi. 10.1002/qua.25326
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- Publication type:
- Article
10
Theoretical investigation on the spectroscopic properties of furylfulgide with different substituents and design of novel bis-furylfulgimide photochromes.
- Published in:
- International Journal of Quantum Chemistry, 2017, v. 117, n. 4, p. n/a, doi. 10.1002/qua.25327
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- Publication type:
- Article