Theoretical identification of pyrimidine on Si(100) by means of X-ray photoelectron spectroscopy and near-edge X-ray absorption fine structure spectra Posted on 30 August 2023 by . Continue reading Theoretical identification of pyrimidine on Si(100) by means of X-ray photoelectron spectroscopy and near-edge X-ray absorption fine structure spectra→
Topological indices of lead sulphide using polynomial technique Posted on 25 August 2023 by . Continue reading Topological indices of lead sulphide using polynomial technique→
Diffusion and viscosity coefficient in Lennard-Jones fluids: excess entropy scaling law Posted on 24 August 2023 by . Continue reading Diffusion and viscosity coefficient in Lennard-Jones fluids: excess entropy scaling law→
High-level ab initio composites: thermochemical bond dissociation energies for vanadium species Posted on 23 August 2023 by . Continue reading High-level ab initio composites: thermochemical bond dissociation energies for vanadium species→
Rydberg-type electronic excited state dynamics in small sodium–water clusters Posted on 23 August 2023 by . Continue reading Rydberg-type electronic excited state dynamics in small sodium–water clusters→
Theoretic analysis of non-relativistic equation with the Varshni-Eckart potential model in cosmic string topological defects geometry and external fields for the selected diatomic molecules Posted on 23 August 2023 by . Continue reading Theoretic analysis of non-relativistic equation with the Varshni-Eckart potential model in cosmic string topological defects geometry and external fields for the selected diatomic molecules→
The magnetic anisotropy energy of 13-atom Fe-Pt, Co-Pt and Ni-Pt clusters Posted on 22 August 2023 by . Continue reading The magnetic anisotropy energy of 13-atom Fe-Pt, Co-Pt and Ni-Pt clusters→
The performance of approximate equation of motion coupled cluster for valence and core states of heavy element systems Posted on 18 August 2023 by . Continue reading The performance of approximate equation of motion coupled cluster for valence and core states of heavy element systems→
Chemical bond analysis for the entire periodic table: energy decomposition and natural orbitals for chemical valence in the four-component relativistic framework Posted on 17 August 2023 by . Continue reading Chemical bond analysis for the entire periodic table: energy decomposition and natural orbitals for chemical valence in the four-component relativistic framework→
The evolution of the principle of circumscribing Posted on 17 August 2023 by Jerry Ray DiasDepartment of Chemistry, University of Missouri, Kansas City, MO, USA . Continue reading The evolution of the principle of circumscribing→
