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 589-600 of 9,662
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
Chiral Carbon Quantum Dots with High-Specificity Report Function as Efficient Antimicrobial Nanoagent to Resist Antibiotic Resistance
Lina Wu, Xiaoyun Lin, Lingxuan Sun, Jinpin Zhang, Jinxi Liu, Shuixin Liang, Wei Luo, Jiaxin Xue, Yujun Wen, Tiantian Wang, Ailin Liu, Yong Diao, Xianquan Feng, Liqing Lin
Chiral discrimination on gate-based quantum computers
Muhammad Arsalan Ali Akbar, Sabre Kais
Chiral Graphene Quantum Dots and Carbon Dots: From Chirality Induction to Spin‐Selective Effects and Advanced Applications
Aumber Abbas, Taskeen Zahra, Shabnum Rubab, Saleem Abbas, Imran Sadiq, Muhammad Mateen, Yasir Abbas, Ejaz Hussain, Faheem Abbas, Nouman Ahmed, Muhammad Irfan Ullah, Elyor Saitov, Sajjad Haider, Junfei Ou
Chiral multinary quantum dots through composition control: Toward next-generation semiconductor nanomaterials.
Branzi L, Ciotti A, Kavanagh A, Feehily E, García-Melchor M, Gun'ko YK