Quantum Chemistry
1,370 papers from Crossref
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 193-204 of 1,370
Electron minibands, density of states, and absorption fingerprints in tensile-strained Si/relaxed Si1−xGex quantum-dot superlattices
Diero Lassina, Djielbeogo Soumaïla, Diasso Alain, Kam Ollé Michel, Sam Raguilignaba, Zougmoré François
Electronic coherence formation in the radiationless S2 decay of pyrazine: Quantum Ehrenfest simulations focused on the branching space of the conical intersection
Luke J. Moore, Michael J. Bearpark, Graham A. Worth, Michael A. Robb
Electronic Structure Characteristics of Complex Chalcogenides, Halides, and Oxides from Quantum-Mechanical Calculations
A. A. Lavrentyev, B. V. Gabrelian, Vu Van Tuan, K. F. Kalmykova
Elliptically polarized high-order harmonic generation by controlling quantum paths with two-dimensional laser fields
Chunyang Zhai, Yifan Liu, Xiaosong Zhu, Fengrun Wu, Jiapeng Li, Pu Wang, Jingkun Xu, Qiming Zhao, Qingbin Tang, Yingbin Li, Baichao Liu, Benhai Yu
Elucidating the role of TPGS in felodipine/PVPVA amorphous solid dispersions during water uptake: dissipative particle dynamics simulations using quantum chemistry-based interaction parameters
Chinatsu Kobayashi, Naoko Konami, Yumika Ogura, Koji Okuwaki, Kenjirou Higashi, Motoki Inoue, Takefumi Yamashita, Takayuki Furuishi, Kaori Fukuzawa, Etsuo Yonemochi
Elucidating the scope and stereochemistry of Diels-Alder reactions of (E)- and (Z)-1,1,1,4,4,4-hexafluoro-2-butene: A combined NMR, quantum-chemical, and X-ray crystallographic study
Mikhail M. Kremlev, Oleksii I. Mushta, Andrii A. Kyrylchuk, Sergii Suikov, Eduard Rusanov, Svitlana Shishkina, Yurii L. Yaguposkii, Sheng Peng, Lee Sprague
Embankment protection-inspired interfacial engineering for ultrahigh-efficiency, stable tandem quantum dot light-emitting devices
Kuibao Yu, Zhihan Lin, Tian Liu, Haolin Luo, Chao Zhong, Hao Liu, Fushan Li, Hailong Hu
Emission in Closely Packed Eu (TTA) <sub>3</sub> (DPT) and Opportunities for Magnetic Dipole Enhancement
Ashleigh K. Wilson, John Munga, Chi Yang, Tigran V Shahbazyan, Ezekiel Mills III, Terence Baker, Md. G.R. Chowdhury, Mikhail A. Noginov, Natalia Noginova
Enantiomeric and protein structural sensing via high-Q all-dielectric metasurfaces
Ruohu Zhang, Zhigang Li, Li Zhu, Shenfei Zong, Binfeng Yun, Hongyoon Kim, Heechang Yun, Guanghao Rui, Junsuk Rho
Energy spectrum of electrons, holes, and excitons in tetrapod-like quantum dots
R.Ya. Leshko, O.V. Leshko, I.V. Bilynskyi, Ya.Yu. Melnyk, A.O. Ocheretyanyi, O.I. Chekin, M.V. Kvyk
Energy-Dependent Evolution of Novel Relativistic Quantum Many-Body Hidden Satellites in Zinc X-Ray Emission Revealed by XR-HERFD
Ramesh Rijal, Pierce Bowman, Daniel Sier, Minh H Dao, Chanh Q Tran, Shusaku Hayama, Matteo Aramini, Nitya Ramanan, Sofia Diaz-Moreno, Christopher T Chantler
Engineered ZnO/Tb3+ Core/Shell quantum dots for enhanced quantum cutting
T.T.T. Huong, N.T. Kien, N.T. Luyen, N.T.K. Van, N.T. Hien, N.X. Ca