Extreme field calculations for Penning ion traps and corresponding strong laser field scenarios Posted on 1 September 2023 by . Continue reading Extreme field calculations for Penning ion traps and corresponding strong laser field scenarios→
Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of Λ Posted on 1 September 2023 by . Continue reading Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of Λ→
Computational studies of Salvurmin A and Salvurmin B, two ursane triterpenoids of Salvia Urmiensis as anti-cancer agents: molecular docking, molecular dynamic simulation, and DFT and ADMET analysis Posted on 1 September 2023 by . Continue reading Computational studies of Salvurmin A and Salvurmin B, two ursane triterpenoids of Salvia Urmiensis as anti-cancer agents: molecular docking, molecular dynamic simulation, and DFT and ADMET analysis→
Prism rather than tetrahedron: low-energy structures for gaseous gold clusters Au10(O2)n+ by density functional calculations Posted on 31 August 2023 by . Continue reading Prism rather than tetrahedron: low-energy structures for gaseous gold clusters Au10(O2)n+ by density functional calculations→
Sodium 3s−3p far wing shapes induced by ground neon atoms Posted on 30 August 2023 by . Continue reading Sodium 3s−3p far wing shapes induced by ground neon atoms→
Ground state energy for confined diatomic molecules: case of Morse interaction Posted on 30 August 2023 by . Continue reading Ground state energy for confined diatomic molecules: case of Morse interaction→
Approximation of the ground and excited states of atoms and molecules with a single determinant by means of the exact many-particle Hamiltonian Posted on 30 August 2023 by . Continue reading Approximation of the ground and excited states of atoms and molecules with a single determinant by means of the exact many-particle Hamiltonian→
Increasing the cell voltage of a magnesium ion battery with B24O24 anode through encapsulating halides: a DFT study Posted on 30 August 2023 by . Continue reading Increasing the cell voltage of a magnesium ion battery with B24O24 anode through encapsulating halides: a DFT study→
Localisation of honeycomb rectangular torus Posted on 30 August 2023 by . Continue reading Localisation of honeycomb rectangular torus→
Algebraic approach to various chemical structures with new Banhatti coindices Posted on 30 August 2023 by . Continue reading Algebraic approach to various chemical structures with new Banhatti coindices→
