C-doped zigzag blue phosphorene nanoribbons for GMR, rectification behaviour and NDR based devices Posted on 14 September 2023 by . Continue reading C-doped zigzag blue phosphorene nanoribbons for GMR, rectification behaviour and NDR based devices→
Theoretical study on mechanism of benzene to phenol over VAPO-5 molecular sieve Posted on 12 September 2023 by . Continue reading Theoretical study on mechanism of benzene to phenol over VAPO-5 molecular sieve→
Comparison of state-interaction and spinor-representation calculations of spin-orbit coupling within exact two-component coupled-cluster theories Posted on 12 September 2023 by . Continue reading Comparison of state-interaction and spinor-representation calculations of spin-orbit coupling within exact two-component coupled-cluster theories→
Note on the finite vertex-based partitioning of supramolecular chain in Dialkyltin Posted on 7 September 2023 by . Continue reading Note on the finite vertex-based partitioning of supramolecular chain in Dialkyltin→
The micellization of tetradecyltrimethylammonium bromide and cefixime trihydrate mixture: investigation of the effects of sodium-based electrolytes and temperatures on the physico-chemical parameters and interaction forces Posted on 6 September 2023 by . Continue reading The micellization of tetradecyltrimethylammonium bromide and cefixime trihydrate mixture: investigation of the effects of sodium-based electrolytes and temperatures on the physico-chemical parameters and interaction forces→
Computational aspects of entropy measures for metal organic frameworks Posted on 6 September 2023 by . Continue reading Computational aspects of entropy measures for metal organic frameworks→
A hyperfine-resolved spectroscopic model for vanadium monoxide (51V16O) Posted on 6 September 2023 by . Continue reading A hyperfine-resolved spectroscopic model for vanadium monoxide (51V16O)→
Restoring permutational invariance in the Jordan–Wigner transformation Posted on 5 September 2023 by . Continue reading Restoring permutational invariance in the Jordan–Wigner transformation→
Beryllium oxide fullerene-like as a highly efficient sensor for formaldehyde: a DFT inspection Posted on 4 September 2023 by . Continue reading Beryllium oxide fullerene-like as a highly efficient sensor for formaldehyde: a DFT inspection→
Benchmarking Time-dependent Density Functional Theory for the prediction of electronic absorption spectra of amorphous ices for astrochemical applications Posted on 4 September 2023 by . Continue reading Benchmarking Time-dependent Density Functional Theory for the prediction of electronic absorption spectra of amorphous ices for astrochemical applications→
