High absorption performance terahertz (THz) and GHz absorbers with low surface
conductance are urgently indispensable in the application of military electromagnetic …

The interaction of temozolomide (TMZ)(the main chemotherapeutic agent for brain tumors)
with blood components has not been studied at the molecular level to date, even though …

The list of σ-hole bonds is long and growing, encompassing both H-bonds and its closely
related halogen, chalcogen, etc., sisters. These bonds rely on the asymmetric distribution of …

Nitro–nitrito isomerization in Co (NH3) 5NO22+ linkage isomers was investigated with a
focus on the geometries, relative stabilities and chemical bonding using ωB97XD/6-31+ G …

Herein, we report a quantum chemistry investigation of the interaction between µ-truxinic
acid, referred to as TXA 0, and Y+(Y= Li, Na, K) and Z−(Z= F, Cl, Br) ions using M06-2X …

The interactions between temozolomide and chloroquine were examined via Dispersion‐
Corrected Density Functional Theory and MP2 methods. Chloroquine was considered in …

Temozolomide (TMZ) was paired with each of the five nucleic acid bases, and the potential
energy surface searched for all minima, in the context of dispersion-corrected density …

Temozolomide and quercetin are both molecules with important pharmaceutical activity,
whose effects can mutually enhance one another when clinically applied simultaneously …

The absorption and emission spectra of dichlorvos and the dichlorvos-MAA complex in
methanol, water, and chloroform in the molecularly imprinted recognition were investigated …

Abstract MP2/6-311+ G (d, p) was employed to study the mechanism of the initial step of ring
opening of temozolomide (TMZ-H) and its substituted, TMZ-R (R= Cl, OH, CF3) analogues …