Quantum Chemistry
8,744 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 3061-3072 of 8,744
Cryogenic source of atomic tritium for precision spectroscopy and neutrino-mass measurements
Aleksei Semakin, Janne Ahokas, Tom Kiilerich, Sergey Vasiliev, Francois Nez, Pauline Yzombard, Valery Nesvizhevsky, Eberhard Widmann, Paolo Crivelli, Caroline Rodenbeck, Marco Röllig, Magnus Schlösser
Crystal-Field--Driven Magnetoelectricity in the Triangular Quantum Magnet CeMgAl$_{11}$O$_{19}$
Sonu Kumar, Gaël Bastien, Maxim Savinov, Petr Proschek, Adam Eliáš, Karol Załęski, Małgorzata Śliwińska-Bartkowiak, Ross H. Colman, Stanislav Kamba
CYANOAMINODIHYDROPYRIDINES: QUANTUM CHEMICAL CALCULATIONS, SPECTRAL ANALYSES AND MOLECULAR DOCKING STUDIES
Michael Purushothaman, Sultan Erkan, Karuppiah Loganathan, Paul Daniel Jebaraj, Stephen Parimala Vaijayanthi
D2-UC: A Distributed-Distributed Quantum-Classical Framework for Unit Commitment
Milad Hasanzadeh, Amin Kargarian
Deciphering insights into the binding mechanism and plasticity of Telacebec with M. tuberculosis cytochrome bcc-aa3 supercomplex through an unbiased molecular dynamics simulation, free-energy analysis, and DFT study.
Ray B, Roy KK
Deciphering the Catalytic Proficiency and Mechanism of the N-Acetylglucosamine Deacetylase From Pantoea dispersa.
Yang W, Chen X, Pang L, Tian H, Yang L, Xia B
Design and analysis of a magneto-resistance-based device to mitigate risks from high magnetic field exposure
Kazi Mustafizur Rahman, Md Mushfiqur Rahman, Sadia Islam, Hasib Md Abid Bin Farid, Md Faysal Nayan
Design of Single Atom Transition Metal‐Doped and N/P/S‐Modified Graphene <scp>TM</scp> ‐ <scp> N <sub>3</sub> S </scp> ‐ <scp>PC</scp> Catalysts for Efficient <scp> CO <sub>2</sub> </scp> Electrocatalytic Reduction: A <scp>DFT</scp> Study
MeiJie Jiang, XiaoJuan Liang, YaQiong Guo, JianXiong Wang, XiangYang Liu, JiaJia Yang, DongHui Xu, LaiCai Li, LiuXia Liu
Designing mimosine-containing peptides as efficient metal chelators: Insights from molecular dynamics and quantum calculations.
Silva-Brea D, Aduriz-Arrizabalaga J, De Sancho D, Lopez X
Detecting Axion Dark Matter with an Organic Molecular Maser
Hongliang Wu, Yuchen Han, Zhengtao Wang, Dezhi Zheng, Yeliang Wang, Liu Yang, Zhiwei Wang, Bo Zhang, Dmitry Budker, Jun Zhang
Determination of Fragmentation Functions from Charge Asymmetries in Hadron Production
Jun Gao, ChongYang Liu, Bin Zhou
Development of 2,1,3-Benzothiadiazole-Based Room-Temperature Fluorescent Nematic Liquid Crystals
Muhammad Suhail bin Uzair, Yoshimichi Shimomura, Takuya Tanaka, Takashi Kajitani, Gen-ichi Konishi