Quantum Chemistry
9,662 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 265-276 of 9,662
Advancing Two-Dimensional Perovskite Solar Cells: Structural Evolution, Stability Mechanism, and Heterojunction Engineering.
Wang RH, Qin RH, Jin RJ, Lou YH, Wang ZK
Advantages of discrete variable representation in variational quantum eigensolvers for vibrational energy calculations.
Asnaashari K, Bondarenko D, Krems RV.
Aerogel-stabilized ultrafine Cu(2)O with lattice strain for enhanced photocatalytic conversion of CO(2) to methanol.
Ding S, Zhu L, Lv Y, Zhang X, Wang S
Aethrene: A Stable Polycyclic Aromatic Hydrocarbon With a Triplet Ground State.
Xie J, Zou Y, Ji W, Wang L, Niu W, Yang Y, Qu X, Wu J, Li G
After 100 Years of Quantum Mechanics: Toward a Constructive Observation-Centered Perspective
Timothy Stroschein, Markus Reiher
Aggregation-Induced Emission from Titanium Complexes Supported by Imido and Phosphinic Amidato Ligands.
Lawler C, Zhang Y
Aggregation-Induced Upconversion Luminescence of Ultra-High-Brightness Lanthanide Organic Cages X-ray Scintillators.
Jiang WK, Qin WW, Li RY, Wang HL, Li YL, Zou HH, Liang FP, Chen DX, Zhu ZH
AI-driven and quantum-informed searches for rare-earth free magnets: Applications to Fe–Co–X (X=B, C, P, Si, S) compounds
James R. Chelikowsky, Cai-Zhuang Wang, Timothy Liao, Zhao Tang, Qi Zhang, Weiyi Xia
AI-driven multiscale virtual plant cell modeling: from molecular mechanisms to tissue functions.
Liu Z, Sun X
AIE fluorescent bio-probe for recognition of exogenous and endogenous H(2)S signaling molecules, and targeted detection of nonalcoholic fatty liver.
Zou YL, Liu YT, Wang YY, Zhang QQ, Li JY, Luo XY, Yuan YK, Zhao LX
AIE Fluorescent Nanozyme-Enabled Ratiometric Sensing Platform for Selective Detection of Ascorbic Acid and Alkaline Phosphatase.
Wang X, Li S, Zhang S, Sun Q, Cheng Q, Bao K, Xia B, Wei H
AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell Chemistry.
Kalita B, Zubatyuk R, Anstine DM, Bergeler M, Settels V, Stork C, Spicher S, Isayev O