Theoretical insights into the mechanism, kinetics and solvent effects of the radical scavenging activity of artoheterophyllins

Publication date: Available online 6 October 2023Source: Chemical Physics LettersAuthor(s): Mai Van Bay, Nguyen Minh Thong, Pham Cam Nam, Adam Mechler, Nguyen Thi Hoa, Quan V. Vo Continue reading Theoretical insights into the mechanism, kinetics and solvent effects of the radical scavenging activity of artoheterophyllins

Acetyl-terminated PAMAM dendrimers for pH-sensitive delivery of irinotecan and fluorouracil: A molecular dynamics simulation study

Publication date: Available online 7 October 2023Source: Chemical Physics LettersAuthor(s): Chou-Yi Hsu, Ali A. Rajhi, Eyhab Ali, Subhash Chandra, Hanan Hassan Ahmed, Zainab Hussein Adhab, Ameer S. Alkhayyat, Ali Alsalamy, Mohamed J. Saadh Continue reading Acetyl-terminated PAMAM dendrimers for pH-sensitive delivery of irinotecan and fluorouracil: A molecular dynamics simulation study

Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Vinícius Manzoni, Yoelvis Orozco-Gonzalez, Jorge Peon, Sylvio Canuto Continue reading Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile

Theoretical studies on the interaction of HXeF with M<sub>3</sub>N<sub>3</sub>H<sub>6</sub> (M = B, Al and Ga) and their substituted derivatives

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Jingjing Song, Feiwu Chen Continue reading Theoretical studies on the interaction of HXeF with M<sub>3</sub>N<sub>3</sub>H<sub>6</sub> (M = B, Al and Ga) and their substituted derivatives

Understanding unique orbital matching in graphene-supported single-atom sites for enhanced gas adsorption sensitivity

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Ze-Huai Huang, Xiao-Lin Wei, Jue-Xian Cao, Yan-Ning Zhang Continue reading Understanding unique orbital matching in graphene-supported single-atom sites for enhanced gas adsorption sensitivity

Long-range <em>ab initio</em> potential energy surface for the ground electronic state of the ozone molecule with the accurate dissociation asymptote

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Oleg Egorov, Roman V. Kochanov, Vladimir Tyuterev, Viatcheslav Kokoouline Continue reading Long-range <em>ab initio</em> potential energy surface for the ground electronic state of the ozone molecule with the accurate dissociation asymptote

Atmospheric chemistry of 1,1-difluoroacetone, CHF<sub>2</sub>C(O)CH<sub>3</sub>: Kinetics, products and mechanisms of the Cl atom and OH radical initiated oxidation

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): M.P. Sulbaek Andersen, J.E. Borcher, C. Blair, A. Robles, O.J. Nielsen Continue reading Atmospheric chemistry of 1,1-difluoroacetone, CHF<sub>2</sub>C(O)CH<sub>3</sub>: Kinetics, products and mechanisms of the Cl atom and OH radical initiated oxidation