International Journal of Quantum Chemistry
Increasing the kinetic stability of a gas‐phase contact ion‐pair through enhancement of the carbocation stability
International Journal of Quantum Chemistry, Volume 122, Issue 12, June 15, 2022.
International Journal of Quantum Chemistry
CunSi12 (n = 30, 38, and 60): A series of silicide cages with high content of TM atoms
International Journal of Quantum Chemistry, Volume 122, Issue 13, July 5, 2022.
International Journal of Quantum Chemistry
Classical nuclear motion: Does it fail to explain reactions and spectra in certain cases?
International Journal of Quantum Chemistry, Volume 122, Issue 12, June 15, 2022.
International Journal of Quantum Chemistry
Prediction of the interaction strength of an urea‐based probe toward ions in water by means of Density Functional Theory/Polarizable Continuum Model calculations
International Journal of Quantum Chemistry, Volume 122, Issue 12, June 15, 2022.
International Journal of Quantum Chemistry
Theoretical study on the interaction of flutamide anticancer drug with cucurbit[n]uril (n = 5–8) as a drug delivery system
International Journal of Quantum Chemistry, Volume 122, Issue 12, June 15, 2022.
International Journal of Quantum Chemistry
Structural defects in graphene quantum dots: A review
International Journal of Quantum Chemistry, Volume 122, Issue 12, June 15, 2022.
International Journal of Quantum Chemistry
Thermal decomposition and fire‐extinguishing mechanism of N(CF2CF3)3 by ReaxFF‐based molecular dynamics simulation and density functional theory calculation
International Journal of Quantum Chemistry, Volume 122, Issue 12, June 15, 2022.
International Journal of Quantum Chemistry
PUBLISHER’S NOTE: Nonadditive kinetic potentials from inverted Kohn–Sham problem
International Journal of Quantum Chemistry, Volume 124, Issue 1, January 5, 2024.