Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26174
- Publication type:
- Article
Works matching IS 00207608 AND DT 2020 AND VI 120 AND IP 6
Results: 12
1
2
Cover Image, Volume 120, Issue 6.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26173
- Publication type:
- Article
3
The influence of high pressure on the structural stability, Vickers hardness and mechanical properties of Re and Ru dodecaborides.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26130
- By:
- Publication type:
- Article
4
Spatially restricted Double Z‐Simplified Box Orbital basis sets: Optimization and comparison with some standard basis sets.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26129
- By:
- Publication type:
- Article
5
Electronic, optical, and charge transfer properties of porphyrin and metallated porphyrins in different media.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26128
- By:
- Publication type:
- Article
6
Solvation effect on the vertical ionization energy of adenine‐thymine base pair: From microhydration to bulk.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26127
- By:
- Publication type:
- Article
7
Flip rearrangement in the water pentamer: Analysis of electronic structure.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26124
- By:
- Publication type:
- Article
8
Constructing spin‐adiabatic states for the modeling of spin‐crossing reactions. I. A shared‐orbital implementation.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26123
- By:
- Publication type:
- Article
9
Light‐induced excited spin‐state trapping in spin crossover model system.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26122
- By:
- Publication type:
- Article
10
Theoretical studies on the BC<sub>2</sub>N monolayers with promising photoelectronic characteristics and remarkable environmental stabilities.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26120
- By:
- Publication type:
- Article
11
Quantitative structure‐toxicity relationship: An "in silico study" using electrophilicity and hydrophobicity as descriptors.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26097
- By:
- Publication type:
- Article
12
On topological indices of carbon nanocones and nanotori.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 6, p. N.PAG, doi. 10.1002/qua.26082
- By:
- Publication type:
- Article