Quantum Chemistry
8,148 papers
Showing 1-12 of 8,148
"Impurity"-driven tunable organic room temperature phosphorescence via conformational regulation in multi host/guest systems.
Dutta A, Singh U, Pati SK, Maitra U
“On–off–on” fluorescent probe based on g-C3N4 quantum dots for sequential detection of Ag+ and glutathione
Ya Zou, Mei Chen, Qingzhi Liu, Kezhen Qi, Jieli He
(±)-Gnetuparin A: a pair of stilbene enantiomers from Gnetum parvifolium and their xanthine oxidase inhibitory activity.
Zhu QF, Chen Q, Gao BB, Xue Y, Yu LL, Ao JL, Xu GB, Liao SG
[1,2,5]Thia- and selenadiazolo[3,4-c]pyridines as efficient acceptors for D-A-D materials with emission in NIR spectral region.
A Knyazeva E, V Tsorieva A, M Korshunov V, O Ustimenko O, V Mikhalchenko L, Taydakov IV, A Rakitin O
\textit{Ab Initio} Adiabatic Potential Energy Surfaces and Non-adiabatic Couplings for O$_3$: Construction of Four State Diabatic Hamiltonian
Avik Guchait, Gourhari Jana, Satyam Ravi, Koushik Naskar, Satrajit Adhikari
$\textit{Ab initio}$ Identification of Hydrogen Tunneling as Two-Level Systems in Nb$_2$O$_5$ and Ta$_2$O$_5$
Cristóbal Méndez, Tomás A. Arias
$σ$-VQE: Excited-state preparation of quantum many-body scars with shallow circuits
Eoin Carolan, Nathan Keenan, Gabriele Cenedese, Giuliano Benenti
100-Fold Scaling-Up, Gram-Level and Direct Ambient Synthesis of Perovskite Quantum Dots with High Batch Consistency.
Su Y, Xiang H, Zhang K, Zhou Y, Lan S, Lu R, Zeng H
11α-hydroxydysobinin: a new limonoid from Chisocheton macrophyllus seeds (Meliaceae).
Nurlelasari, Azzahra LW, Safriansyah W, Huda MB, Rustaman, Harneti D, Mayanti T, Farabi K, Maharani R, Supratman U
172 nm Photochemical Destruction of Three Commonly Used Anesthetic Gases with High Global Warming Potentials: Ultraviolet Absorption Spectra, Quantum Yields, and Product Analysis for Isoflurane, Desflurane, and Sevoflurane
Connor Blair, Bethanie Curiel, Alexis Robles, Morten Frausig, Kjertan Lyster, Thomas Rosenoern, Ole John Nielsen, Mads P. Sulbaek Andersen
185-nm UV Direct Photolysis of PFAS Compounds: Kinetics and Degradation Mechanisms.
Liu S, Song M, Wu L, Kalinski JJ, Schramm T, Petras D, Liu H
24-Epibrassinolide enhances aluminum tolerance in tobacco through Ca²⁺-dependent signaling, antioxidant regulation, and metal homeostasis
Ghulam Murtaza, Muhammad Usman, Sajid Ullah, Wael Elmenofy, Mohamed Mohamed El-Mogy, Ahmad Mahmoud Ismail, Lamy Mamdoh Mohamed Hamed, Rashid Iqbal