Quantum Chemistry

382 papers from DOAJ

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 313-324 of 382

GPU Accelerated Quantum Virtual Screening: Application for the Natural Inhibitors of New Dehli Metalloprotein (NDM-1)

Mingsong Shi, Dingguo Xu, Jun Zeng

2018 DOAJ Frontiers in Chemistry

Improving the electron spin properties of nitrogen-vacancy centres in nanodiamonds by near-field etching

F. Brandenburg, R. Nagumo, K. Saichi, K. Tahara, T. Iwasaki, M. Hatano, F. Jelezko, R. Igarashi, T. Yatsui

2018 DOAJ Scientific Reports

Investigation of NLO Properties of Pyridine Benzimidazole Derivatives: Ab-Initio Approach

Ayhan Üngördü

2018 DOAJ Cumhuriyet Science Journal

Mitigation of Efficiency Droop in an Asymmetric GaN-Based High-Power Laser Diode With Sandwiched GaN/InAlN/GaN Lower Quantum Barrier

Tian Lan, Guangzheng Zhou, Ying Li, Congcong Wang, Zhiyong Wang

2018 DOAJ IEEE Photonics Journal

Post-Sputtering Heat Treatments of Molybdenum on Silicon Wafer

Xuguang Jia, Ziyun Lin, Terry Chien-Jen Yang, Binesh Puthen-Veettil, Lingfeng Wu, Gavin Conibeer, Ivan Perez-Wurfl

2018 DOAJ Applied Sciences

Quantum nondemolition measurement of mechanical motion quanta

Luca Dellantonio, Oleksandr Kyriienko, Florian Marquardt, Anders S. Sørensen

2018 DOAJ Nature Communications

Quasiparticle interference and charge order in a heavily overdoped non-superconducting cuprate

Xintong Li, Ying Ding, Chaocheng He, Wei Ruan, Peng Cai, Cun Ye, Zhenqi Hao, Lin Zhao, Xingjiang Zhou, Qianghua Wang, Yayu Wang

2018 DOAJ New Journal of Physics

Recent Theoretical and Experimental Progress in Circularly Polarized Luminescence of Small Organic Molecules

Naibo Chen, Bo Yan

2018 DOAJ Molecules

Scanning nuclear resonance imaging of a hyperfine-coupled quantum Hall system

Katsushi Hashimoto, Toru Tomimatsu, Ken Sato, Yoshiro Hirayama

2018 DOAJ Nature Communications

Study of atomic structures of Li-like Al in dense plasmas

LI Xiang-Fu, JIANG Gang

2018 DOAJ 四川大学学报. 自然科学版

The influence of ligand charge and length on the assembly of Brome mosaic virus derived virus-like particles with magnetic core

Adam A. Mieloch, Monika Kręcisz, Jakub D. Rybka, Aleksander Strugała, Michał Krupiński, Anna Urbanowicz, Maciej Kozak, Bohdan Skalski, Marek Figlerowicz, Michael Giersig

2018 DOAJ AIP Advances

A DFT Study on the Electronic Structures and Conducting Properties of Rubrene and its Derivatives in Organic Field-Effect Transistors

Huipeng Ma, Na Liu, Jin-Dou Huang

2017 DOAJ Scientific Reports