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 2125-2136 of 8,661
Rational design of Ba(II)-cross-linked alginate gel for highly efficient and selective capture of Cu(II) via angular quantum number regulation
Xin Hao, Gaoyuan Gu, Shuyi Yang, Chong Peng, Tao E, Yun Li
Rational design of local electric fields: an effective strategy to modulate thermally activated delayed fluorescence in carbene-gold(I)-amide complexes.
Ning Z, Zhao S, Meng Y, Zhang Y, Tang B, Cui L, Liu X, Lv L
Rational Design of Multifunctional Carbon Quantum Dots for Fluorescent Forensic Fingerprint Visualization, Fluorescent Ink Formulation, and Environmental Selective Lead Ion Detection
Prabu Velumani, Rajeswari Senthilvel, Sangeerthanam Manupatty Loganathan, Vijaya Parthasarathy
Rational design of open hollow nanoboxes via Ru and B synergistic electronic modulation in cobalt phosphide for efficient oxygen evolution reaction.
Li Z, Cheng W, Gao X, Ni C, Dong J, Yang H, Wang J, Tan W, Tian L
Rational design of zinc single-atom carbon dots as multifunctional nanozymes with antioxidant and osteogenic potential.
Li C, Niu G, Gao F, Lu M, Wang S, Deng Z, Gong P, Ruan Y, Jin S, Jiang Y
Rational engineering of a large Stokes shift fluorogenic sensor for sensing Notum in living systems and inhibitor screening.
Li X, Sun M, Miao J, Hu C, Zhao B, Chu X, Wu J, Guo Z, Yu C, Jin Q, Zou L, Ge G
Rb₂HfCl₆:Sb³⁺ phosphors with tunable energy transfer for advanced information encryption and high-CRI WLEDs.
Zou J, Zhou Y, Huang J, Huang T, Zou B
Re-refinement of the structure of the planar hexagonal phase of ZnO nanocrystals.
Li M, Zhang L, Ren W, Reimers JR
Reaching for the performance limit of hybrid density functional theory for molecular chemistry
Jiashu Liang, Martin Head-Gordon
Reaction Discovery Involving Digital co-Expert with a Practical Application in Atom-Economic Cycloaddition.
Kolomoets NI, Boiko DA, Romashov LV, Kozlov KS, Gordeev EG, Galushko AS, Ananikov VP
Reaction-Class-Dependent Intrinsic Barriers Unify Deviant and Multimodal Bell-Evans-Polanyi Behavior in Polar Group Transfer Reactions.
Yu L, Li T, Shao Q, Wu J, Xue XS
Reaction-Level Consistency within the Variational Quantum Eigensolver: Homodesmotic Ring Strain Energies of Cyclic Hydrocarbons
L. Roy, M. Sarkar, M. Tewari, A. Kumar, M. Paranjothy