Cover Image, Volume 118, Issue 18.
- Published in:
- 2018
- Publication type:
- Cover Art
Works matching IS 00207608 AND DT 2018 AND VI 118 AND IP 18
Results: 15
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Cover Image, Volume 118, Issue 18.
- Published in:
- 2018
- Publication type:
- Cover Art
3
Intriguing diaza effects on magnetic coupling characteristics in diaza‐benzo[k]tetraphene‐bridged nitroxide diradicals.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25693
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- Publication type:
- Article
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Unexpected A·T(WC)↔A·T(rWC)/A·T(rH) and A·T(H)↔A·T(rH)/A·T(rWC) conformational transitions between the classical A·T DNA base pairs: A QM/QTAIM comprehensive study.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25692
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- Publication type:
- Article
5
Charge transfer ionic character illustration for strontium hydride ion through a diabatic investigation.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25680
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- Publication type:
- Article
6
Two classes of heterocycles—6,8‐dioxabicyclo[3.2.1]octanes and cyclopentenols from the same reagents: A quantum‐chemical comparison of mechanism.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25689
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- Publication type:
- Article
7
New global potential energy surface of the MgH<sub>2</sub> system and dynamics studies of the reaction H + MgH → Mg + H<sub>2</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25687
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- Publication type:
- Article
8
The tautomerization and ring closure in the Claisen rearrangement: A DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25677
- By:
- Publication type:
- Article
9
Electronic and optical properties of α‐MoO<sub>3</sub>/TiO<sub>2</sub> heterostructures: A DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25681
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- Publication type:
- Article
10
Chiral thiophene derivatives with optimal two‐photon absorption in near‐infrared window I and II.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25690
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- Publication type:
- Article
11
Theoretical study of positron scattering by group 14 tetra hydrides: A quantum mechanical approach.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25679
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- Publication type:
- Article
12
An animated visualization of orbital angular momentum and spin‐orbit coupling.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25683
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- Publication type:
- Article
13
The negative differential resistance mechanism of a molecular device based on double‐cage fluorinated fullerene C<sub>20</sub>F<sub>18</sub>(NH)<sub>2</sub>C<sub>20</sub>F<sub>18</sub>: A theoretical study.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25630
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- Publication type:
- Article
14
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25480
- Publication type:
- Article
15
Dative bonds versus electron solvation in tri‐coordinated beryllium complexes: Be(CX)<sub>3</sub> [X = O, S, Se, Te, Po] and Be(PH<sub>3</sub>)<sub>3</sub> versus Be(NH<sub>3</sub>)<sub>3</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 18, p. 1, doi. 10.1002/qua.25673
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- Publication type:
- Article