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 2605-2616 of 9,662
Predicting Enantioselectivity of Ruthenium-Catalyzed Ketone Hydrogenation with 3D Structure-Based Deep Learning.
Hadler N, Ramirez E, Avaylon M, Elkin M, Rinehart NI, Mahoney MW, Weber GH, Hoche J, Brandenburg JG, Perciano T, Hartwig JF
Predicting excited-state lifetimes in Cobalt(III) polypyridyl complexes: From quantum chemistry to nonadiabatic dynamics
Olga S. Bokareva, Leticia González, Sebastian Mai
Predicting Photoluminescence Quantum Yields of Quantum Dots from Time-Resolved Photoluminescence with Artificial Neural Networks
Logan Smith, Sadia Jannat, Adeyemi Michael Adeboyejo, Taela Brown, Igor Fedin
Predicting properties of quantum thermal states from a single trajectory
Jiaqing Jiang, Jiaqi Leng, Lin Lin
Predictive Quantum Vibrational Spectra through Active Learning 4G-NNPs.
Faruque MO, Limbu DK, London N, Momeni MR
Predictive Registry Optimization of Molecular Adsorbates on Solid Surfaces.
Hofmeister DA, Selzer CE, Horst LZ, Rickert SC, Kohn J, Hansen A, Jester SS, Höger S
Predictive X-ray spectroscopy of actinide complexes: from HERFD-XANES to RIXS maps via relativistic quantum chemistry
Valérie Vallet, Tamara Shaaban, Robert Polly, Florent Réal, André Severo Pereira Gomes, Wilken Aldair Misael, Hanna Oher, Juliane März, Lucia Amidani, Elena F. Bazarkina, Kristina O. Kvashnina, C. Le Naour, Pier Lorenzo Solari, Timothy G. Burrow, Myrtille O.J.Y. Hunault, Melody Maloubier
Prenucleation Clusters in Shell Formation of Photoluminescent Core/Shell Quantum Dots of Heavy-Metal-Free ZnTeSe/ZnSe.
Xiong G, Yu K, Yang F, Sapelkin A, Liu X, Zhu X
Preparation and characterization of La/g-C3N4/TiO2 quantum dots and their detection of FLE-Induced degradation: A bifunctional study and its correlation with traditional Chinese medicine antitumor therapy applications
Weiguo Shi, Qian Wu, Yuxin Wang, Yanan Niu, Xiaoyi Chen, Kuilin Lv
Preparation of a carbon quantum dot-embedded silica microsphere/terbium composite for dual-ratiometric fluorescence detection of MnO(4)(-) ions.
Duan B, Guo S, Guo Q, Wu J, Guo J
Preparation of blue-light-excited graphene quantum dots by cutting crude graphene oxide, and their application as fluorescent detection probes for heavy metal ions
Yuanyuan Li, Fu Wang, Hangyu Dong, Jinxiang Zhang, Li Li, Zhuo Liu, Yingru Li, Xiaoshan Yan, Jun Zhao
Preparation of carbon quantum dot fluorescent probe from Caesalpinia sappan L. for the detection of ciprofloxacin and antibacterial applications.
Pei S, Yan K, Cai S, Hou Y, Luo K, Xiang P, Peng Y