Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26200
- Publication type:
- Article
Works matching IS 00207608 AND DT 2020 AND VI 120 AND IP 8
Results: 12
1
2
Cover Image, Volume 120, Issue 8.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26199
- Publication type:
- Article
3
Representations and descriptors unifying the study of molecular and bulk systems.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26151
- By:
- Publication type:
- Article
4
A DFT study on mechanisms of CO<sub>2</sub> coupling with propargylic alcohols using alkali carbonates.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26150
- By:
- Publication type:
- Article
5
Unique continuation for the magnetic Schrödinger equation.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26149
- By:
- Publication type:
- Article
6
Dynamical Jahn‐Teller effect in the first excited C60−.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26148
- By:
- Publication type:
- Article
7
Molecular design of novel indacenodithiophene‐based organic dyes for efficient dye‐sensitized solar cells applications.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26147
- By:
- Publication type:
- Article
8
Insight into the reaction mechanism of CH<sub>2</sub>SH with HO<sub>2</sub>: A density functional theory study.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26146
- By:
- Publication type:
- Article
9
Insight into the influence of terminal ligands on magnetic exchange coupling in a series of dimeric copper(II) acetate adducts.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26145
- By:
- Publication type:
- Article
10
Design of new organic superacids with fused and isolated pyrrole and cyclopentadiene rings and assessment of effect of –BX<sub>2</sub> (X = H, F, Cl, CN) substituents on the acidity enhancement: A DFT analysis.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26144
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- Publication type:
- Article
11
A Topological Data Analysis perspective on noncovalent interactions in relativistic calculations.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26133
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- Publication type:
- Article
12
Designing new donor materials based on functionalized DCCnT with different electron‐donating groups: A density functional theory (DFT) and time dependent density functional theory (TDDFT)‐based study.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 8, p. 1, doi. 10.1002/qua.26112
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- Publication type:
- Article