Quantum Chemistry
62 papers for year 2019 from PubMed
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 1-12 of 62
(Poly)terephthalates with Efficient Blue Emission in the Solid State.
Shimizu M, Shigitani R, Kinoshita T, Sakaguchi H
A dual-function molecularly imprinted optopolymer based on quantum dots-grafted covalent-organic frameworks for the sensitive detection of tyramine in fermented meat products.
Zhang D, Liu H, Geng W, Wang Y
A molecular hybrid producing simultaneously singlet oxygen and nitric oxide by single photon excitation with green light.
Parisi C, Failla M, Fraix A, Rescifina A, Rolando B, Lazzarato L, Cardile V, Graziano ACE, Fruttero R, Gasco A, Sortino S
A solid-phase luminescence sensor based on molecularly imprinted polymer-CdSeS/ZnS quantum dots for selective extraction and detection of sulfasalazine in biological samples.
Ahmadpour H, Hosseini SMM
Adsorption and encapsulation of the drug doxorubicin on covalent functionalized carbon nanotubes: A scrutinized study by using molecular dynamics simulation and quantum mechanics calculation.
Kordzadeh A, Amjad-Iranagh S, Zarif M, Modarress H
Advancing Fenton and photo-Fenton water treatment through the catalyst design.
Vorontsov AV
An overview about the impact of hinge region towards the anticancer binding affinity of the Ck2 ligands: a quantum chemical analysis.
Deepa P, Thirumeignanam D, Kolandaivel P
Application of coated green source carbon dots with silica molecularly imprinted polymers as a fluorescence probe for selective and sensitive determination of phenobarbital.
Shariati R, Rezaei B, Jamei HR, Ensafi AA
Atomistic mechanisms of the double proton transfer in the H-bonded nucleobase pairs: QM/QTAIM computational lessons.
Brovarets' OO, Hovorun DM
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions.
Wang C, Danovich D, Shaik S, Wu W, Mo Y
Building Molecular Complexity from Quinizarin: Conjoined Coumarins and Coronene Analogs.
Węcławski MK, Deperasińska I, Banasiewicz M, Young DC, Leniak A, Gryko DT
Carbon dots produced via space-confined vacuum heating: maintaining efficient luminescence in both dispersed and aggregated states.
Zhou D, Jing P, Wang Y, Zhai Y, Li D, Xiong Y, Baranov AV, Qu S, Rogach AL