Preparation of functional geopolymers from municipal solid waste incineration fly ash: An approach combining experimental and computational simulation studies
M Sun, L Ma, Q Dai, J Yang, L Xie, Y Hu, L Duan… - Journal of …, 2024 - Elsevier
This study aims to evaluate the feasibility and safety of using municipal solid waste
incineration fly ash (MSW-IFA) in the development of geopolymer-based solidification …
incineration fly ash (MSW-IFA) in the development of geopolymer-based solidification …
Quantifying electro/nucleophilicity by partitioning the dual descriptor
Translating local electro/nucleophilicities into the language of reactive sites is an appealing
theoretical challenge that could be conducive to strengthen the collaborative dialogue …
theoretical challenge that could be conducive to strengthen the collaborative dialogue …
Characterization of the chemical reactivity and selectivity of DNA bases through the use of DFT-based descriptors
V Labet, C Morell, V Tognetti, OA Syzgantseva… - Structure, Bonding and …, 2014 - Springer
In this chapter, the use of conceptual DFT descriptors for understanding the occurrence and
likely mechanisms of formation of DNA lesions is reviewed. After a synthetic presentation of …
likely mechanisms of formation of DNA lesions is reviewed. After a synthetic presentation of …