In this work, we have presented a comparative study on Ribavirin (RBV) drug sensing and detection on the pristine and functionalized single-wall carbon nanotubes (f-SWCNTs) by …
S Chen, Z Wu, Q Fan, J Huang - Cellulose, 2022 - Springer
The understanding of interaction between graphene oxide (GO) and bacterial cellulose (BC) at molecular level is indispensable for meeting the goal of constructing a graphene-oxide …
In the search to cover the urgent need to combat infectious diseases, natural products have gained attention in recent years. The caespitate molecule, isolated from the plant …
N Mohebi - Journal of Physical Organic Chemistry, 2022 - Wiley Online Library
Thermodynamic and electronic features of new derivatives of 3‐X‐4‐hydroxy‐2 (1H)‐ quinolone (X= H, OH, OMe, NH2, NMe2, Me, NHMe, F, Cl, CN, CF3, NO2, CCl3, and COH; 1 …
Y Qin, X Wu, N Zhou, H Xu, J Tan, X Chen… - Computational and …, 2022 - Elsevier
In this study, density functional theory (DFT) was used to study the interaction between porous graphene nanosheets (PG), functionalized porous graphene nanosheets (PG-OH …
Carbon is one of the most abundant elements on Earth. In addition to the well-known crystallographic modifications such as graphite and diamond, other allotropic carbon …
We have investigated the various nanotube (NT)-water complexes as important host-guest complexes via the DFT method using B3LYP/6-31G* and M06/6-31G* levels of theory …