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 61-72 of 382
Spectroscopic (FT-IR and FT-Raman) and quantum chemical study on monomer and dimer of benznidazole from DFT and molecular docking approaches
Tirth Raj Paneru, Manoj Kumar Chaudhary, Poonam Tandon, Bhawani Datt Joshi, Beatriz Pinheiro Bezerra, Alejandro Pedro Ayala
Stable H-bond networks are crucial for selective CLK1 inhibition: a computational perspective
Yuzhou Huang, Yuzhou Huang, Baichun Hu, Haihan Liu, Jian Wang, Na Duan
Structural, electronic, and optical properties of topological semimetal ZrSn3: A DFT study for optoelectronic and quantum device applications
Farid Alam, Md Robayet Ahasan, Jamal Uddin Ahamed
Study on the ramifications of small molecule organic matter within the kinetic behavior of CH4 and CO2 adsorption
WANG Kai, LIN Shuangshuang, ZHAO Wei
Subnanometric MoOx clusters limit overoxidation during photocatalytic CH4 conversion to oxygenates over TiO2
Panpan Wu, Yueying Chu, Maoling Wang, Ningdong Feng, Jun Xu, Ding Ma, Jinhua Ye, Feng Deng
Sulfur-locked multiple resonance emitters for high performance orange-red/deep-red OLEDs
Yexuan Pu, Qian Jin, Yuewei Zhang, Chenglong Li, Lian Duan, Yue Wang
Superconducting phase diagram of finite-layer nickelates Nd n+1Ni n O2n+2
Andreas Hausoel, Simone Di Cataldo, Motoharu Kitatani, Oleg Janson, Karsten Held
Sustainable carbon quantum dots synthesized from yeast β-glucan as a promising nanomaterial for biological applications
Fatemeh Sharifi Adel, Pardis Sadat Mirseyed, Sareh Arjmand, Moones Rahmandoust, Iraj Ashrafi Tamai, Manoochehr Sadeghi
Synthesis of AgInS2 quantum dots loaded with celastrol for induction of apoptosis and autophagy in hepatocellular carcinoma cells
Qineng Gong, Tianyu Zhu, Linlin Zhang, Hui Wu, Yang Miao, Ye Hu
Synthesis of Quantum Dots Using Biomaterials Derived from Blue Crab and Their Potential Applications
Övgü Gencer
Systematic investigation of the generation of luminescent emitters in hBN via irradiation engineering
Pooja C. Sindhuraj, José M. Caridad, Corné Koks, Moritz Fischer, Denys I. Miakota, Juan A. Delgado-Notario, Kenji Watanabe, Takashi Taniguchi, Stela Canulescu, Sanshui Xiao, Martijn Wubs, Nicolas Stenger
The $$\Lambda _c^+\rightarrow \Lambda \pi ^+\pi ^+\pi ^-$$ Λ c + → Λ π + π + π - reaction, and a triangle singularity producing the $$\Sigma ^*(1430)$$ Σ ∗ ( 1430 ) state
Yi-Yao Li, Jing Song, Eulogio Oset, Wei-Hong Liang, Raquel Molina