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 2185-2196 of 9,662
Molecular Structure, Theoretical NBO Analysis, Vibrational Spectrum of CO<sub>2</sub>-Responsive Hydroxyamidine-Based Ionic Liquid: A Combined Computational and Experimental Approach
Lyazzat Abulyaissova, Nikolay Barashkov, Irina Irgibaeva, Yerbolat Tashenov
Molecular Surface Self-Accumulation Toward High-Efficiency and Mechanically Robust Flexible Perovskite Solar Cells.
Han R, Weng P, Huangfu Y, Dong S, Zhang X, Shang C, Wang C, Zhou B, Qu D, Zhang Z, Sun L, Zhao W, Wang S, Wei S, Bi Y, Pan M, Wu J, Zhu R, Tu Y
Molecular weight-dependent control of interfacial intermixing and dopant aggregation: a design principle for efficient solution-processed OLEDs.
Jang SH, Jeong JY, Park JH, Kim JY
Molecular-level biomimetic integration of phosphorus-doped graphene quantum dots with silver nanoparticles for highly stable and active nanozymes: Application in ultrasensitive ascorbic acid detection.
Peng Y, Ruiyi L, Zaijun L
Molecular-Level Decoding of Electron Transfer Dynamics in Metal Nanoclusters.
Huang KY, Yao Q, Deng HH, Chen W, Xie J
Molecular-level engineering of gel polymer electrolytes in sodium-ion batteries: a comprehensive computational study.
Solook MS, Alamdar S, Zarif M
Molecular-level fluorescence engineering in N-doped graphene quantum dots: electronic–interfacial coupling and emergent photophysics
Seif Al Bustanji, Hasanain Amer Naji, R. Roopashree, Ahmed Aldulaimi, Sara Abdalkahar Sleeman, Rasulbek Eshmetov, Abduvali Sottarov, Monika Verma, Ahmad Amiri
Molecular-level interaction mechanisms of humic acid and residual aluminum species in gypsum scaling during nanofiltration.
Jia J, Zhang X, Lin D, Yang J, Hu L, Gong W, Li G, Liang H
Molecularly imprinted fluorescent sensors based on nitrogen-doped carbon dots for tiliroside detection.
Zhang X, Guo L, Yu H, Wang W, Du L, Yuan MS
Molecularly imprinted ratiometric fluorescent sensor based on dual-emission carbon dots for selective detection of tetracycline.
Wu J, Du H, Qian Y, Chen S, Zhu X, Xu Q
MolGAN-QRL: a hybrid framework for molecule generation using quantum-enhanced reinforcement learning.
Hergli MI, Harigua-Souiai E.
MolGuidance: Advanced Guidance Strategies for Conditional Molecular Generation with Flow Matching.
Jin J, Zeng C, Prakash P, Tadmor EB, Roitberg A, Hennig RG, Martiniani S, Liu M