Quantum Chemistry
8,661 papers
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 661-672 of 8,661
Development of sustainable N,S carbon quantum dots turn-off fluorescence method for rivastigmine determination using box-behnken design in pharmaceutical and environmental applications.
Serag A, Alzhrani RM, Alnemari RM, Abduljabbar MH, Almalki AH
Development of tall oil compound rejuvenator: a molecular dynamics and quantum chemistry approach
Liang He, Wentao Zhang, Zhiguang Zhou, Xiaojing Ren, Alessio Alexiadis, Qiang Liu, Wim Van den bergh, Emmanuel Chailleux, Augusto Cannone Falchetto, Ana Jiménez del Barco Carrión, Kamilla Vasconcelos, Karol J. Kowalski, Rongyao Du, Mohd Rosli Mohd Hasan
Development of triazine Schiff base as corrosion inhibitor for industrially important steel material: Experimental and quantum analysis
Naveenkumar C, Dileep R, Ranganatha S
Development of wide-field magnetic imaging at high pressure and low temperature with diamond quantum sensor
K. Uriu, R. Suda, K. Yamamoto, K. Sasaki, K. Kobayashi, M. Einaga, K. Shimizu
Development Toward Tungsten Transition-Edge Sensors With Improved Energy Resolution in the Optical/NIR Regime
Leaf Swordy, Benedikt Hampel, Daniel S. Swetz, Paul Szypryt, Douglas A. Bennett, Galen O’Neil, Mike Vissers, Joel N. Ullom, Richard P. Mirin, Martin J. Stevens, Adriana E. Lita
DFT study of structural, optoelectronic, and thermoelectric properties of Sr₃Ga₂X₄ (X = P, As) zintl compounds for energy conversion applications
Zeshan Zada, Ali H. Reshak
DFT study of the structural, electronic, and optical properties of SiAs, SiGe, and SiSn quantum dots with potential implications for nanoelectronic and sensing applications
Tran Minh Tien
DFT-assisted natural abundance 13C zero-field NMR via optical magnetometry
Blake Andrews, Xiao Liu, Raphael Zumbrunn, Calvin Lee, Sahand Adibnia, Emanuel Druga, Martin Head-Gordon, Ashok Ajoy
DFT-Based Elucidation of LigY-Catalyzed C-C Bond Cleavage Mechanism in Sphingobium sp. SYK-6.
Liu M
Diabatization with Electrostatic Embedding for Studying Photophysics in Organic Molecular Crystals.
Ingham M, Aarabi M, Giannini S, Garavelli M, Santoro F, Improta R, Crespo-Otero R
Diamine-Mediated Synergistic Engineering of Orientation and Interfacial Field of 3D/1D Heterojunctions for Efficient Perovskite Photovoltaics.
Li Y, Cao Y, Zou Y, Yu W, Su Z, Cai Z, Liu Y, Liu Q, Wang H, Gong L, Ye Y, Tang R, Gao Y, Eickemeyer FT, Qu B, Xiao L, Chen Z
Diastereoselective and Chemically Reversible C-C Bond Formation Mediated by an (N-heterocyclic)boryloxy Aluminyl Compound.
Sarkar D, Vasko P, Struijs JJC, Dietz M, Aldridge S