Vertex-edge based resolvability parameters of vanadium carbide network with an application Posted on 27 September 2023 by . Continue reading Vertex-edge based resolvability parameters of vanadium carbide network with an application→
On the importance and challenges of modelling extraterrestrial photopigments via density-functional theory Posted on 27 September 2023 by . Continue reading On the importance and challenges of modelling extraterrestrial photopigments via density-functional theory→
Thioformyl cyanide, HC(S)CN, revisited: accurate rovibrational simulations for a molecule observed in interstellar clouds Posted on 26 September 2023 by . Continue reading Thioformyl cyanide, HC(S)CN, revisited: accurate rovibrational simulations for a molecule observed in interstellar clouds→
Nuclear structure and Breit interaction effects in relativistic molecular electronic structure calculations Posted on 26 September 2023 by . Continue reading Nuclear structure and Breit interaction effects in relativistic molecular electronic structure calculations→
Solvation effect on photophysical properties and ESIPT behaviours for 2-benzooxazol-2-yl-6-thiophen-2-yl-phenol fluorophore: a theoretical study Posted on 26 September 2023 by . Continue reading Solvation effect on photophysical properties and ESIPT behaviours for 2-benzooxazol-2-yl-6-thiophen-2-yl-phenol fluorophore: a theoretical study→
Quantum chemical exploration of the binding motifs and binding energies of neutral molecules, radicals and ions with small water clusters: characterisation and astrochemical implications Posted on 25 September 2023 by . Continue reading Quantum chemical exploration of the binding motifs and binding energies of neutral molecules, radicals and ions with small water clusters: characterisation and astrochemical implications→
Anharmonicity and deuteration in the IR absorption and emission spectrum of phenylacetylene Posted on 25 September 2023 by . Continue reading Anharmonicity and deuteration in the IR absorption and emission spectrum of phenylacetylene→
Propagators for molecular dynamics in a magnetic field Posted on 25 September 2023 by . Continue reading Propagators for molecular dynamics in a magnetic field→
Structural evolution and stability of plutonium oxide clusters Posted on 21 September 2023 by . Continue reading Structural evolution and stability of plutonium oxide clusters→
A new method for estimating zeta potential of carboxylic acids’ functionalised particles Posted on 21 September 2023 by . Continue reading A new method for estimating zeta potential of carboxylic acids’ functionalised particles→
