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 6805-6816 of 9,538
Development of Divide-and-Conquer Density-Functional Tight-Binding Method for Theoretical Research on Li-Ion Battery.
Chou CP, Sakti AW, Nishimura Y, Nakai H
Differential steric effects in the inelastic scattering of NO(X) + Ar: spin-orbit changing transitions.
Brouard M, Gordon SDS, Nichols B, Walpole V, Aoiz FJ, Stolte S
Does phosphorylation increase the binding affinity of aluminum? A computational study on the aluminum interaction with serine and O-phosphoserine.
Formoso E, Grande-Aztatzi R, Lopez X
Does the wavelength dependent photoisomerization process of the p‑coumaric acid come out from the electronic state dependent pathways?
Zhao L, Liu J, Zhou P
Dramatic differences in carbon dioxide adsorption and initial steps of reduction between silver and copper
Yifan Ye, Hao Yang, Jin Qian, Hongyang Su, Kyung-Jae Lee, Tao Cheng, Hai Xiao, Junko Yano, William A. Goddard, Ethan J. Crumlin
Dynamical Jahn‐Teller effect in the first excited
Zhishuo Huang, Dan Liu
Effects of nitro- and amino-group on the antioxidant activity of genistein: A theoretical study.
Wang L, Yang F, Zhao X, Li Y
Effects of Plasmon Modes on Resonant Raman Images of a Single Molecule
Sai Duan, Zhen Xie, Guangjun Tian, Yi Luo
Efficiency Limit of Colloidal Quantum Dot Solar Cells: Effect of Optical Interference on Active Layer Absorption
Taewan Kim, Xing Jin, Jung Hoon Song, Sohee Jeong, Taiho Park
Efficient method for grand-canonical twist averaging in quantum Monte Carlo calculations
Sam Azadi, W. M. C. Foulkes
Efficient Quasi-Two-Dimensional Perovskite Light-Emitting Diodes with Improved Multiple Quantum Well Structure
Wentao Bi, Qiuhong Cui, Pengcheng Jia, Xin Huang, Yangguang Zhong, Dongdong Wu, Yang Tang, Shuang Shen, Yufeng Hu, Zhidong Lou, Feng Teng, Xinfeng Liu, Yanbing Hou
Electrochemiluminescence sensor based on upconversion nanoparticles and oligoaniline-crosslinked gold nanoparticles imprinting recognition sites for the determination of dopamine.
Gu Y, Wang J, Shi H, Pan M, Liu B, Fang G, Wang S