Quantum Chemistry
9,662 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 2677-2688 of 9,662
QM/MM study of the catalytic reaction of potato epoxide hydrolase.
Dehabadi MH, Ryde U, Irani M
QMCkl: A kernel library for quantum Monte Carlo applications.
Slootman E, Chilkuri VG, Delval A, Hoffer M, Gorni T, Coppens F, van de Nes J, Panadés-Barrueta RL, Posenitskiy E, Ammar A, Landinez Borda EJ, Camus K, Kohulàk O, Giner E, de Oliveira Castro P, Valensi C, Jalby W, Filippi C, Scemama A
QmDFT for Polycyclic Aromatics: Balancing Embedding Ground-State Fidelity and Experimental Gap Estimation
N. Manglani, Tejjan Arora, Samrit Maity, Ranjit Thapa, Shashank Sharma, Sanjay Wandhekar
QMeCha: Quantum Monte Carlo package for fermions in embedding environments.
Barborini M, Charry J, Ditte M, Leventis A, Kafanas G, Tkatchenko A
QMF-MAP: A Quantum Multimodal Fusion Model for Molecular Activity Prediction
Maoduo Li, Wen Liu, Lei Shi, Yangzhi Li, Kai Chen, Pengfei Zhang
QR-SPPS: Quantum-Native Retail Shock Propagation and Policy Stress Simulator
Sumit Tapas Chongder
QSCI-CMP: Quantum-Selected Configuration Interaction with Chemically Motivated Preselection
Masahiko Kamoshita, Kosuke Mitarai
Quality control of traditional Chinese medicine solid preparation Zhizi Jinhua Pills via FT-IR, UV and THz fingerprints assisted with dissolution.
Wang X, Zou K, Li P, Zhu W, Cui H, Xiao L, Lan L, Sun G
Quantification of dual-state 5-ALA-induced PpIX fluorescence: methodology and validation in tissue-mimicking phantoms.
Segaud S, Budd C, Elliot M, Stasiuk G, Shapey J, Xie Y, Vercauteren T
Quantifying and Engineering Electric Fields in Liver Alcohol Dehydrogenase.
Eze JC, Gascón JA
Quantifying cerebellar signal detectability in MEG and EEG in epilepsy using anatomically informed source modeling.
Matsubara T, Sohrabpour A, Ahlfors SP, Jas M, Samuelsson J, Sundaram P, Stufflebeam S
Quantifying venom in African snakes: Insights into protein content, yield and body size associations.
French S, Da Silva R, Have MT, Crittenden E, Rowley P, Cullen IC, Holland Z, Wilkinson MC, Modahl CM.