International Journal of Quantum Chemistry
Theoretically exploring the bonding properties of trivalent transuranic elements with 2‐(2‐amino‐2‐oxyethoxy) acetic acid
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Unveiling the structure‐reactivity relationship involved in the reaction mechanism of the HCl‐catalyzed alkyl t‐butyl ethers thermal decomposition. A computational study
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
First‐principles investigation of Rb2Ag(Ga/In)Br6 for thermoelectric and photovoltaic applications
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
In depth study on the fire‐extinguishing mechanism of Octafluoro‐2‐butene as a new promising Halon substitute
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Relativistic ro‐vibrational feature of electron in Bohr’s orbits of hydrogen‐like atoms in Heisenberg picture
International Journal of Quantum Chemistry, EarlyView.
International Journal of Quantum Chemistry
Optical properties of para‐oligophenylenes: A case study of electronic absorption spectrum and relaxation dynamics of terphenyl
International Journal of Quantum Chemistry, Volume 122, Issue 13, July 5, 2022.
International Journal of Quantum Chemistry
Electron and positron elastic scattering by non‐central potentials: Matrix elements and symmetry properties in the first Born approximation
International Journal of Quantum Chemistry, Volume 122, Issue 13, July 5, 2022.
International Journal of Quantum Chemistry
Theoretical study of decomposition of formic acid over Pd catalyst anchored on N‐doped graphene
International Journal of Quantum Chemistry, Volume 122, Issue 13, July 5, 2022.
International Journal of Quantum Chemistry
N‐heterocyclic carbene ligated oximes: Exploring the electronic structure and properties
International Journal of Quantum Chemistry, Volume 122, Issue 13, July 5, 2022.
International Journal of Quantum Chemistry
Strain effects on the structural, electronic, optical and thermoelectric properties of Si2SeS monolayer with puckered honeycomb structure: A first‐principles study
International Journal of Quantum Chemistry, Volume 122, Issue 13, July 5, 2022.