International Journal of Quantum Chemistry
Metadynamics simulations on the key factors of handedness induction of quinoline oligoamide foldamers with a terminal chiral group
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Aluminum–nitrogen co‐doping improves the blue emission of ZnO films: A combined theoretical–experimental study
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Cover Image, Volume 122, Issue 12
International Journal of Quantum Chemistry, Volume 122, Issue 12, June 15, 2022.
International Journal of Quantum Chemistry
Issue Information
International Journal of Quantum Chemistry, Volume 122, Issue 12, June 15, 2022.
International Journal of Quantum Chemistry
Structures, electronic and thermodynamic properties of NiB2n (n = 7–11) and their anions: A theoretical study
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Exploring the electronic, mechanical, anisotropic, and optical properties of ternary silicides TM2Si2Ys (TM = Cu, Ir, Os, Pt, Pd, Rh, Ru) from a first principles investigations
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Sensing properties of nonmetal doped blue phosphorene toward NO and NO2 molecules: A first‐principles study
International Journal of Quantum Chemistry, Volume 122, Issue 15, August 5, 2022.
International Journal of Quantum Chemistry
Computational study on the mechanism of metal‐free photochemical borylation of aryl halides
International Journal of Quantum Chemistry, Volume 122, Issue 15, August 5, 2022.
International Journal of Quantum Chemistry
Exploring the sensing ability of B‐ and Si‐doped WS2 monolayer toward CO and NO gas
International Journal of Quantum Chemistry, Volume 122, Issue 15, August 5, 2022.
International Journal of Quantum Chemistry
The performance of approximate EOM‐CCSDfor ionization potential and electron affinity of genetic material subunits: A benchmark investigation
International Journal of Quantum Chemistry, Volume 122, Issue 15, August 5, 2022.