Exploring the mechanisms for the radical induced damage of 6‐thioguanine.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25544
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2018 AND VI 118 AND IP 11
Results: 12
1
2
New theoretical insight on the acid sites distribution, their local structures and acid strength of the SAPO‐11 molecular sieve.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25541
- By:
- Publication type:
- Article
3
A quantum‐chemical DFT study of the mechanism and regioselectivity of the 1,3‐dipolar cycloaddition reaction of nitrile oxide with electron‐rich ethylenes.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25540
- By:
- Publication type:
- Article
4
Cover Image, Volume 118, Issue 11.
- Published in:
- 2018
- Publication type:
- Front Cover
5
Reactivity descriptors for DNA bases and the methylation of cytosine.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25538
- By:
- Publication type:
- Article
6
Electronic structure of octagonal boron nitride nanotubes.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25542
- By:
- Publication type:
- Article
7
Perturbed structures generated using coordinates derived from compliance constants in internal vibrations for QTAIM dual functional analysis: Intrinsic dynamic nature of interactions.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25590
- By:
- Publication type:
- Article
8
Correlation of bond metallicity measures to electronegativity for binary oxides.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25548
- By:
- Publication type:
- Article
9
Computational study of S<sub>N</sub>2 reactions promoted by crown ether: Contact ion pair versus solvent‐separated ion pair mechanism.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25547
- By:
- Publication type:
- Article
10
Adsorption of polycyclic aromatic hydrocarbons and inversion barriers of curved conjugated systems inside the molecular cage ExCage<sup>6+</sup>.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25539
- By:
- Publication type:
- Article
11
Effect of deprotonation on the magnetic exchange coupling constant of fluorene‐based verdazyl diradical: A computational study.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25543
- By:
- Publication type:
- Article
12
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 11, p. 1, doi. 10.1002/qua.25473
- Publication type:
- Article