Control of the aggregate structure of magnetic cubic particles in a quasi-2D suspension via both the strength and direction of an applied magnetic field (multi-particle collision dynamics simulations) Posted on 10 July 2023 by . Continue reading Control of the aggregate structure of magnetic cubic particles in a quasi-2D suspension via both the strength and direction of an applied magnetic field (multi-particle collision dynamics simulations)→
Assessing the performance of Al- and Ga-doped BNNTs for sensing and delivering Cytarabine and Gemcitabine anticancer drugs: a M06-2X study Posted on 10 July 2023 by . Continue reading Assessing the performance of Al- and Ga-doped BNNTs for sensing and delivering Cytarabine and Gemcitabine anticancer drugs: a M06-2X study→
Ion trap study of the isotope exchange in the low-temperature collisions of OD- anions with HD Posted on 10 July 2023 by . Continue reading Ion trap study of the isotope exchange in the low-temperature collisions of OD- anions with HD→
Ro-vibrational energy spectra and thermal properties of some diatomic molecules Posted on 7 July 2023 by . Continue reading Ro-vibrational energy spectra and thermal properties of some diatomic molecules→
Theoretical study into structure-properties relationship on energetic derivatives coupling by nitroimidazoles and polynitrobenzenes Posted on 7 July 2023 by . Continue reading Theoretical study into structure-properties relationship on energetic derivatives coupling by nitroimidazoles and polynitrobenzenes→
Optical spectrum of the cyanoadamantane radical cation Posted on 7 July 2023 by . Continue reading Optical spectrum of the cyanoadamantane radical cation→
Designing spiro-bifluorene core-based promising molecules with enhanced optoelectronic attributes for high efficiency solar cell devices Posted on 6 July 2023 by . Continue reading Designing spiro-bifluorene core-based promising molecules with enhanced optoelectronic attributes for high efficiency solar cell devices→
On the exactness of time-propagators for periodically driven systems based on Fer expansion Posted on 6 July 2023 by . Continue reading On the exactness of time-propagators for periodically driven systems based on Fer expansion→
An ab initio study of the bonding in BeH (X2Σ+), BeH− (X1Σ+), Be2(X1Σ+g), O3 (X˜1A1), and CO3 (˜X1A1) through an adiabatic to diabatic transformation Posted on 6 July 2023 by . Continue reading An ab initio study of the bonding in BeH (X2Σ+), BeH− (X1Σ+), Be2(X1Σ+g), O3 (X˜1A1), and CO3 (˜X1A1) through an adiabatic to diabatic transformation→
The ability of zinc oxide nanostructures for removal of Pb2+, Cu2+, Ag2+ and Cd2+ ions from wastewater: computational perspective Posted on 6 July 2023 by . Continue reading The ability of zinc oxide nanostructures for removal of Pb2+, Cu2+, Ag2+ and Cd2+ ions from wastewater: computational perspective→
