Quantum Chemistry
3,580 papers for year 2026
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 3,580
"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