International Journal of Quantum Chemistry
Density functional theory model of Li–S electrochemical system with explicit solvation of lithium polysulfides by sulfolane
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Anion complexes of diborane derivatives inserted to benzene
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
The full‐dimensional potential energy surface of He2H− using fundamental invariant neural network method
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Gas sensing properties of Mg‐doped graphene for H2S, SO2, SOF2, and SO2F2 based on DFT
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Strain effects on electronic, optical properties and carriers mobility of Cs2SnI6 vacancy‐ordered double perovskite: A promising photovoltaic material
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
A prospectus for thickness dependent electronic properties of two‐dimensional metals using density functional theory calculation
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Exploring the effects of mutations on NFAT5‐DNA binding using molecular dynamics simulations and energy calculations
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Effects of ligands on excitation energies of [UO2X4]2− and UO2X2 (X = F, Cl) with the equation‐of‐motion coupled‐cluster theory
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Issue Information
International Journal of Quantum Chemistry, Volume 122, Issue 17, September 5, 2022.
International Journal of Quantum Chemistry
Long‐bonding and effects of carbon hybridization on the bonding of MNgC compounds (M = Cu, Ag, Au)
International Journal of Quantum Chemistry, EarlyView.