Quantum Chemistry
3,656 papers from PubMed
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 1705-1716 of 3,656
Quantum-Capacitance Biosensing Enables Real-Time Monitoring of Naxitamab for Therapeutic Response Stratification in Neuroblastoma.
Bruno A, Alvarez-Diduk R, Lara P, Maroli G, Larrosa C, López-Miralles S, Mora J, Rodríguez-Hernández CJ, Merkoçi A
Quantum-Centric Alchemical Free Energy Calculations.
Bazayeva M, Li Z, Kaliakin D, Liang F, Shajan A, Das S, Merz KM Jr
Quantum-chemical insights into the design of molecule-modified Pt catalysts for the oxygen reduction reaction.
Tada K, Kinugawa S, Yamazaki SI, Kitano Y, Kitagawa Y, Asahi M, Chida Y, Ioroi T
Quantum-classical hybrid computation of electron transfer in a cryptochrome protein via VQE-PDFT and multiscale modeling.
Chen Y, Sheng Z, Li W, Zhang Y, Xu X, Huang JH, Li Y
Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules in Optical Cavities.
Aklilu Y, Shepherd M, Covington CL, Varga K
Quantum-Influenced Anomalous Electron Transport Induced by Heterocyclic Aromatic Pendants in Polyolefin Dielectrics.
Hu S, Li Q, He J
Quantum-Inspired Chemical Rule for Discovering Topological Materials.
Xu X, Islam R, Hussain G, Huang Y, Li X, Dral PO, Ullah A, Yang M
Quantum-Transport Informed Machine Learning for Identifying Tobacco-Induced Regioisomeric DNA Adducts.
Maurya D, Mittal S, Chatterjee D, Pathak B
Quasi-molecular perspective on the planarity of 2D materials: the case of 2D MoS(2).
Varandas AJC
Quaternary ammonium-functionalized carbon quantum dots with low drug resistance inhibit biofilm formation and accelerate infected wound healing.
Wu L, Feng X, Gao Y, Wu J, Liu A, Lin L
Quercetin targets cytochrome P450 enzyme (CYP1A2) in colorectal cancer.
Ganji SP, Behera SK, Reddy NR, Chowdary TVP, Nukala SSV, Alam A, Nagaraju GP, Srilatha M
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation.
Tripathy V, Palos E, Merz KM Jr, Paesani F, Götz AW