Vyzkoušejte nový nástroj s podporou AI
Summon Research Assistant
BETA
Loading…
Theoretical study of the impact of metal complexation on the reactivity properties of Curcumin and its diacetylated derivative as antioxidant agents
Medigue, Nor El Houda, Bouakouk-Chitti, Zohra, Bechohra, Lina Linda, Kellou-Taïri, Safia
Published in Journal of molecular modeling (01.06.2021)
Published in Journal of molecular modeling (01.06.2021)
Get full text
Journal Article
Loading…
Fukui Indexes Applied to the Reduced and Nonreduced Species of the Nickel(II) Tetraazadinaphtho[14]annulene Complex and Its Protonated Derivative
Ríos-Escudero, Ángel, Costamagna, Juan, Cárdenas-Jirón, Gloria I
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.09.2004)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.09.2004)
Get full text
Journal Article
Loading…
Isolation, Reactivity, and Tunable Properties of a Strained Antiaromatic Osmacycle
Li, Qian, Hua, Yuhui, Tang, Chun, Chen, Dafa, Luo, Ming, Xia, Haiping
Published in Journal of the American Chemical Society (05.04.2023)
Published in Journal of the American Chemical Society (05.04.2023)
Get full text
Journal Article
Loading…
Reaction Mechanism of 1,3,5-Trinitro-s-triazine (RDX) Deciphered by Density Functional Theory
Swadley, Matthew J, Li, Tonglei
Published in Journal of chemical theory and computation (01.03.2007)
Published in Journal of chemical theory and computation (01.03.2007)
Get full text
Journal Article
Loading…
Combined experimental and quantum computational studies on 5-Fluorouracil salicylic acid cocrystal: Assessment on anti-breast cancer potential through docking simulation
Karuppasamy, Jayapriyanga, Zochedh, Azar, Al-Asbahi, Bandar Ali, Kumar, Yedluri Anil, Shunmuganarayanan, Athimoolam, Sultan, Asath Bahadur
Published in Journal of molecular structure (05.09.2024)
Published in Journal of molecular structure (05.09.2024)
Get full text
Journal Article
Loading…
Salt template-assisted polymer tethering strategy to achieve high dispersed cobalt single atoms/clusters on porous carbon catalysts for effective Fenton-like reactions
Song, Jiaojiao, Wang, Ruiyan, Wang, Jiale, Hu, Yi, Guan, Jiaxuan, Li, Yang, Xu, Xiangjian, Zhou, Qi
Published in Journal of environmental chemical engineering (01.12.2024)
Published in Journal of environmental chemical engineering (01.12.2024)
Get full text
Journal Article
Loading…
Density Functional Theory Descriptors for Ionic Liquids and the Charge-Transfer Interpretation of the Haven Ratio
Philippi, Frederik, Rauber, Daniel, Springborg, Michael, Hempelmann, Rolf
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31.01.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31.01.2019)
Get full text
Journal Article
Loading…
Calculation of ionization potential and chemical hardness: A comparative study of different methods
Shankar, R., Senthilkumar, K., Kolandaivel, P.
Published in International journal of quantum chemistry (15.03.2009)
Published in International journal of quantum chemistry (15.03.2009)
Get full text
Journal Article
Loading…