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 5833-5844 of 9,538
The Study of Structural Features of N- and O-Derivatives of 4,5-Dihydroxyimidazolidine-2-Thione by NMR Spectroscopy and Quantum Chemical Calculations
Liudmila E. Kalichkina, Alexander V. Fateev, Polina K. Krivolapenko, Kristina A. Isakova, Alexey S. Knyazev, Victor S. Malkov, Abdigali A. Bakibaev, Vera P. Tuguldurova
Theoretical insights into the synthesis mechanism of two amino‐substituted derivatives of <scp>FOX</scp>‐7
Fangjian Shang, Ting Wang, Yinhua Ma, Meiheng Lv
Theoretical Studies on Thermally Activated Delayed Fluorescence Mechanism of Au(III) Complexes in Films: Insights from Quantum Mechanics/Molecular Mechanics Simulations
Yuan-Jun Gao, Gwan Yeong Jung, Wen-Kai Chen, Ganglong Cui, Sang Kyu Kwak
Theoretical study of the vibrational properties of L-alanine and its zwitterionic form in the gas phase and in solution.
Rahmani M, Benmalti MEA
Thermodynamic and electron-transport properties of Ca3Ru2O7 from first-principles phonon calculations and Boltzmann transport theory
Yi Wang, Yihuang Xiong, Tiannan Yang, Yakun Yuan, Shunli Shang, Zi-Kui Liu, Venkatraman Gopalan, Ismaila Dabo, Long-Qing Chen
Three-dimensional natural color imaging based on focus level correlation algorithm using structured illumination microscopy
Mengrui Wang, Mengrui Wang, Tianyu Zhao, Zhaojun Wang, Kun Feng, Jingrong Ren, Yansheng Liang, Shaowei Wang, Ming Lei
Time-Optimal Quantum Driving by Variational Circuit Learning
Tangyou Huang, Yongcheng Ding, Léonce Dupays, Yue Ban, Man-Hong Yung, Adolfo del Campo, Xi Chen
Topical Review: Extracting Molecular Frame Photoionization Dynamics from Experimental Data
Paul Hockett, Varun Makhija
Topological Effects on Non-Relativistic Eigenvalue Solutions Under AB-Flux Field with Pseudoharmonic- and Mie-type Potentials
Faizuddin Ahmed
Torque Magnetometry: Toward Measurement of Quantum Magnetism on Thin Film Heterostructures
Minsik Kong, Jong-Mok Ok, Changhee Sohn
Toward Neural Network Simulation of Variational Quantum Algorithms
Oliver Knitter, James Stokes, Shravan Veerapaneni
Transition metals doped (3,3) armchair boron nitride nanosheet as dilute magnetic semiconductors materials for the spintronic application
Akram Malek, Tayebeh Movlarooy, Saeid Hessami Pilehrood