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 133-144 of 9,538
A precision inhibitor screening strategy from complex herbal medicine for hyaluronidase based on carbon quantum dot sensing and targeted capture technology
Mei Wang, Hui Yuan, Xinmin He, Lingling Yang, Zhigang Yang, Tao Gao, Weibiao Wang, Fen Ma, Weiman Zhang, Gidion Wilson Mening' oo, Yuping Sa, Xiaofei Chen, Guoning Chen, Xueqin Ma
A prediction framework for the state of health of an electric vehicle battery pack.
Wang FK, Kebede GA
A predictive acetylcholinesterase inhibition model: an integrated computational approach on alkaloids and synthetic derivatives.
Adarvez-Feresin C, Angelina E, Parravicini O, Enriz RD, Garro AD
A predictive descriptor for the d-band center in intermetallic alloys accelerates the design of robust molecular switches.
Yang S, Zhou J, Zhang Y, Cao G, Ren JC, Liu W
A Proposed Complete-Cycle Mechanism for Conversion of N(2) to NH(3) by Mo-Nitrogenase.
Dance I
A Protocol for Shielding-Enhanced Loading of Single Polar Molecules into Optical Tweezers
Reuben R. W. Wang, Christian H. Nunez, Conner Williams, Amanda Younes, Li Du, Hossein R. Sadeghpour, Kang-Kuen Ni
A pyridinium cation engineering strategy to achieve high-performance X-ray scintillation of antimony halides.
Zhao YY, Chen JC, Zhang L, Chen J, Liao Q, Li ZQ, Lin M, Yao J, Zhong YW
A QM/MM study on triplet decay of 6-thioguanine and 6-selenoguanine with explicit solvent.
Mushtaq S, Liang J, Deng J, Bai S
A quadratic-scaling algorithm with guaranteed convergence for quantum coupled-channel calculations
Hubert J. Jóźwiak, Md Muktadir Rahman, Timur V. Tscherbul
A Quantum Algorithm for Simulating Nonunitary Dynamics Governed by Nonautonomous Linear Ordinary Differential Equations
Pouya Khazaei, Eitan Geva
A quantum chemical investigation of electro-optical properties and spectroscopic features of propargylimine
Pravi Mishra, Parmanand Pandey, Rachana Singh, Manisha Yadav, Shivani, Aftab Ahamad, Alka Misra, Poonam Tandon, Amritanshu Shukla
A Quantum Circuit Framework for Protein Ensemble-Level Energetics
Pratik Patil, Bhushan Bonde, Bhaskar Choubey