Quantum Chemistry
9,538 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 565-576 of 9,538
CHARMM-GUI Hybrid ML/MM Builder for Hybrid Machine Learning and Molecular Mechanical Modeling and Simulations.
Szczepaniak F, Suh D, Im W.
Chemical characterization, antifungal, and anticorrosive properties of essential oils from Origanum compactum, Eucalyptus camaldulensis, and Cedrus atlantica from Morocco.
Ez-Zriouli R, El Yacoubi H, Mouhssine F, Benziane Ouaritini Z, Dahmani K, Lachhab R, Aboukhalaf A, Galai M, Ebn Touhami M, Rochdi A
Chemical constituents with cytotoxicity from the fresh roots of Rehmannia glutinosa (Gaertn.) Libosch. ex DC.
Chi FG, Cao YG, Wang HY, Chen X, Li ZZ, Liu YL, Lu D, Niu Y, Zhao BX, Zheng XK, Feng WS
Chemical constituents with in vitro anti-renal injury activity from the aerial parts of Hypericum japonicum Thunb. ex Murray.
Liu Y, Ji L, Li C
Chemical Information From the Ehrenfest Force Field Based on Reduced Density Matrix Functional Theory.
Mortera-Carbonell AJ, Hernández-Trujillo J, Francisco E, Pendás AM
Chemical physics of surface reconstruction and defect passivation in InP quantum dots: Thermodynamic mechanisms, electronic structure evolution, and implications for high-performance optoelectronics
Mohamed Abu Shuheil, Praharshkumar B. Raj, Irwanjot Kaur, Ahmed Aldulaimi, Maha Mohammed Tawfiq, Harvinder Singh Sohal, Rasulbek Eshmetov, Gulmira Ibrohimova, Mohsen Taherian
Chemical Structure and Electronic Properties of Thermally Altered Coals: Insights from Multi-Technique Analysis and Modeling.
Mu R, Zhao Y, Shang X, Wang X
Chemical tuning of magnetic ordering and cryogenic magnetocaloric response in zircon-type Gd1-xErxVO4
Ming Zeng, Muqing Su, Liang Ming, Xiaolong Yang, Wang Chen, Lingwei Li, Hai-Feng Li
Chemical-Modification-Triggered Emergence of Phosphorescence in o-Carborane-Fused Benzophospholes.
Jia C, Wang C, Shan Z, Wang L, Duan Z
Chemically decisive benchmarks on the path to quantum utility
Srivathsan Poyyapakkam Sundar, Vibin Abraham, Bo Peng, Ayush Asthana
Chemistry in Pictures: Quantum carbenes
Brianna Barbu
ChemRefine: An Open-Source Automated and Interoperable Platform for Machine Learning and Quantum Chemistry Simulations.
Migliaro I, Weiss MGS, Sterling AJ