Фармацевтическая аналитическая химия: открытый доступ
Открытый доступ

Абстрактный

Chemosensors: A Detectory Device at the Molecular Level

Leticia Pérez Rial

A chemosensor requires to have a measurable response and calculating either that response from first principles based on the electronic structure, or calculating another physicochemical property related to the response are useful strategies in their molecular design. Additionally, electronic structure calculations helps us unveil the molecular mechanisms underlying their response and efficiency, as well as providing a starting point for their continuous improvement.