Quantum Chemistry
9,039 papers
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 9,039
"Impurity"-driven tunable organic room temperature phosphorescence via conformational regulation in multi host/guest systems.
Dutta A, Singh U, Pati SK, Maitra U
"In Situ" Orbital Correlations.
Lin X, Zhang H, Wang C, Cao Z, Mo Y
“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
<i>DiSCaMB</i> – a package for exploring quantum crystallography
M. L. Chodkiewicz, P. M. Dominiak, K. Woźniak
|∆ <scp> <i>μ</i> </scp> | Big Is “Not Bad”? A Quantitative Assessment
Abdul Rahman Al Nabulsi, Farnaz Heidar‐Zadeh, Ramón Alain Miranda‐Quintana, Paul W. Ayers
$\mathtt{Q^2SAR}$: overcoming classical bottlenecks in drug discovery via quantum multiple kernel learning
Mariano Caruso, Daniel Ruiz, Alejandro Giraldo, Guido Bellomo
$\textit{Ab initio}$ 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