Quantum Chemistry
276 papers for year 2019
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 73-84 of 276
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
Elucidating Molecular Interactions in Glycerol Adsorption at the Metal-Water Interface with Density Functional Theory.
Shan N, Liu B
Elucidating the interplay between non-stoquasticity and the sign problem
Lalit Gupta, Itay Hen
Elucidation of near-resonance vibronic coherence lifetimes by nonadiabatic electronic-vibrational state character mixing.
Yeh SH, Hoehn RD, Allodi MA, Engel GS, Kais S
Enantiomeric excess determination based on nonreciprocal transition induced spectral line elimination
Xun-Wei Xu, Chong Ye, Yong Li, Ai-Xi Chen
Energy-Time Entangled Two-Photon Molecular Absorption
Dmitry Tabakaev, Matteo Montagnese, Geraldine Haack, Luigi Bonacina, Jean-Pier Wolf, Hugo Zbinden, Robert Thew
Enhanced triplet state generation through radical pair intermediates in BODIPY-quantum dot complexes
Tao Jin, Natalie Uhlikova, Zihao Xu, Yifan Zhu, Yiming Huang, Eilaf Egap, Tianquan Lian
Entropy of human leukocyte antigen and killer-cell immunoglobulin-like receptor systems in immune-mediated disorders: A pilot study on multiple sclerosis.
Maurizio Melis, Roberto Littera, Eleonora Cocco, Jessica Frau, Sara Lai, Elena Congeddu, Paola Ragatzu, Maria Serra, Valentina Loi, Roberta Maddi, Roberta Pitzalis, Sandro Orrù, Luchino Chessa, Andrea Perra, Carlo Carcassi
Establishing the Relationship between Quantum Capacitance and Softness of N-Doped Graphene/Electrolyte Interfaces within the Density Functional Theory Grand Canonical Kohn–Sham Formalism
Alvaro Ochoa-Calle, Alfredo Guevara-García, Jorge Vazquez-Arenas, Ignacio González, Marcelo Galván
Excited state orbital optimization via minimizing the square of the gradient: General approach and application to singly and doubly excited states via density functional theory
Diptarka Hait, Martin Head-Gordon