Abstract The structural and electrostatic properties of the single-walled two representative (8, 0) zigzag and (4, 4) armchair models of pristine and GaAs-doped on boron phosphide nanotubes (BPNTs) was investigated by ...

The effect of interactions of various Ia and IIa cations with two positions of the adenine-thymine (A−T) and guanine-cytosine (G−C) base pairs on the geometries and individual hydrogen bond (HB) energies have been investigated ...

Molecular dynamics simulation has been performed to analyze the effect of the presence of gold nanoparticle on dynamics of Kob-Anderson binary Lennard-Jones (BLJ) mixture upon supercooling within the framework of the mode ...

This study demonstrates the spectral data for two triarylmethane dyes, malachite green (MG) and crystal violet (CV) at room temperature. Effects of micellar environment, and crown ether addition on the spectral behaviour ...

A nanofluid is a dilute liquid suspension of particles with at least one critical dimension smaller than ~100 nm. Research works so far suggest that nanofluids offer excellent heat transfer enhancement over conventional ...

The structural and energetic characteristics of O3–H2O complexes have been investigated by means of B3LYP, MP2, MP4(SDTQ), CCSD(T) and QCISD(T) methods in conjunction with the AUG-cc-pVDZ and AUG-cc-pVTZ basis sets. Six ...