Quantum Chemistry

42 papers for year 2023 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 1-12 of 42

A First-principles analysis of Structural, Electronic, Elastic, and vacant properties of BCC, FCC and HCP tungsten at different electronic temperatures

X.B. Ye, B.C. Pan

2023 DOAJ Nuclear Materials and Energy

A Prototype Method for the Detection and Recognition of Pigments in the Environment Based on Optical Property Simulation

Roman Y. Pishchalnikov, Denis D. Chesalin, Vasiliy A. Kurkov, Uliana A. Shkirina, Polina K. Laptinskaya, Vasiliy S. Novikov, Sergey M. Kuznetsov, Andrei P. Razjivin, Maksim N. Moskovskiy, Alexey S. Dorokhov, Andrey Yu. Izmailov, Sergey V. Gudkov

2023 DOAJ Plants

All-<i>d</i>-Metal Heusler Alloys: A Review

Tarek Bachagha, Joan-Josep Suñol

2023 DOAJ Metals

Anharmonic effect on the vibrational properties of pristine and Co-doped β-FeSi2 semiconductors

Kai Zhang, Xiao-Long Du, Hao Yu, Ziyu Cao, Guangyou Fang, Tianwu Wang, Xiao-Jia Chen

2023 DOAJ AIP Advances

Bit Flipping Key Encapsulation for the Post-Quantum Era

Mohammad Reza Nosouhi, Syed Wajid Ali Shah, Lei Pan, Robin Doss

2023 DOAJ IEEE Access

Blue light-emitting diodes based on colloidal quantum dots with reduced surface-bulk coupling

Xingtong Chen, Xiongfeng Lin, Likuan Zhou, Xiaojuan Sun, Rui Li, Mengyu Chen, Yixing Yang, Wenjun Hou, Longjia Wu, Weiran Cao, Xin Zhang, Xiaolin Yan, Song Chen

2023 DOAJ Nature Communications

Chlorophenyl thiophene silicon phthalocyanine: Synthesis, two-photon bioimaging-guided lysosome target, and in vitro photodynamic efficacy

Le Xu, Tiantian Zhang, Bingcheng Huang, Fangmei Zheng, Yan Huang, Yuyang Li, Yiru Peng, Linying Chen

2023 DOAJ Frontiers in Pharmacology

Classification of perovskite structural types with dynamical octahedral tilting

Donat J. Adams, Sergey V. Churakov

2023 DOAJ IUCrJ

Collision-induced atomic alignment of silver after L3 ionization by 10–50 keV electron impact: Influence of Coster–Kronig transition effect

Xing Wang, Yitong Liu, Zhongfeng Xu, Asihati Hamadeli, Jieru Ren, Yongtao Zhao, Dieter H.H. Hoffmann, Xueguang Ren, Rui Cheng, Yu Lei, Yu Liu, Xianming Zhou

2023 DOAJ Results in Physics

Cultivation Factors That Affect Amyloid-β Aggregation Inhibitory Activity in <i>Perilla frutescens</i> var. <i>crispa</i>

Keiya Shimamori, Tomohiko Nambu, Daiki Kawamata, Masahiro Kuragano, Naoki Nishishita, Toshifumi Iimori, Shinya Yamanaka, Koji Uwai, Kiyotaka Tokuraku

2023 DOAJ Foods

Deuterium oxide validation of bioimpedance total body water estimates in Hispanic adults

Grant M. Tinsley, Kyung-Shin Park, Catherine Saenz, Ayush Mehra, Michael R. Esco, Stefan A. Czerwinski, Brett S. Nickerson

2023 DOAJ Frontiers in Nutrition

Direct formation of HONO through aqueous-phase photolysis of organic nitrates

J. M. González-Sánchez, J. M. González-Sánchez, M. Huix-Rotllant, N. Brun, N. Brun, J. Morin, C. Demelas, A. Durand, S. Ravier, J.-L. Clément, A. Monod

2023 DOAJ Atmospheric Chemistry and Physics