Adsorption performance and gas sensing of the Ru atomic catalyst on GaN sheets to transformer oil dissolved gases Posted on 4 July 2023 by . Continue reading Adsorption performance and gas sensing of the Ru atomic catalyst on GaN sheets to transformer oil dissolved gases→
Covalent triazine-based monolayer with dual application in sensing and delivery of mercaptopurine anticancer drug: a periodic DFT study Posted on 3 July 2023 by . Continue reading Covalent triazine-based monolayer with dual application in sensing and delivery of mercaptopurine anticancer drug: a periodic DFT study→
Dynamic modelling of the interfacial concentration profiles of fast chemical reactions in reactive liquid–liquid systems Posted on 30 June 2023 by . Continue reading Dynamic modelling of the interfacial concentration profiles of fast chemical reactions in reactive liquid–liquid systems→
HIV-1 immature virion network and icosahedral capsids self-assembly with patchy spheres Posted on 26 June 2023 by . Continue reading HIV-1 immature virion network and icosahedral capsids self-assembly with patchy spheres→
One-centre corrected two-electron integrals in inner projection-based integral evaluations* Posted on 26 June 2023 by . Continue reading One-centre corrected two-electron integrals in inner projection-based integral evaluations*→
Boron clusters sheets with algebraic properties Posted on 23 June 2023 by . Continue reading Boron clusters sheets with algebraic properties→
Infrared action spectroscopy as tool for probing gas-phase dynamics: protonated dimethyl ether, (CH3)2OH+, formed by the reaction of CH3OH2+ with CH3OH Posted on 22 June 2023 by . Continue reading Infrared action spectroscopy as tool for probing gas-phase dynamics: protonated dimethyl ether, (CH3)2OH+, formed by the reaction of CH3OH2+ with CH3OH→
Isomerisation of phenanthrene dication studied by tagging photodissociation ion spectroscopy and DFT calculations Posted on 20 June 2023 by . Continue reading Isomerisation of phenanthrene dication studied by tagging photodissociation ion spectroscopy and DFT calculations→
Hyperfine and P, T odd properties in BiO: comparison between coupled-cluster method and multi-reference perturbation method based on a Dirac Hamiltonian Posted on 20 June 2023 by . Continue reading Hyperfine and P, T odd properties in BiO: comparison between coupled-cluster method and multi-reference perturbation method based on a Dirac Hamiltonian→
Connection-based modified Zagreb indices of Boron triangular sheet BTS(m,n) Posted on 19 June 2023 by . Continue reading Connection-based modified Zagreb indices of Boron triangular sheet BTS(m,n)→
