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 2353-2364 of 3,656
Bio-inspired modification of nanocellulose based on in-situ homogeneous radical coupling of coniferin.
Wu S, Wang L, Li S, Wang Y, Lei S, Tang J, Cui J, Bian X, Jiang J, Zhang Y
Brussonol and komaroviquinone as inhibitors of the SARS-CoV-2 Omicron BA.2 variant spike protein: A molecular docking, molecular dynamics, and quantum biochemistry approach.
Santos SJM, Valentini A
Chalcone-based Turn-Off Chemosensor for Selective and Susceptible Detection of Fe(2+) Ions: Spectroscopic and DFT Investigations.
Revanna BN, Kamat V, Swamynayaka A, Harish KK, Venkatesha K, Madegowda M, Poojary B, Majani SS, Kollur SP
Chemical Information Network and Molecular Docking Inspire the Novel Indole Discovery Against Glioma from Tabernaemontana corymbosa.
Peng YL, Song D, Xue Y, Han W, Liu X, Feng TT, Zhou Y, Wei X
Chlorophyll fluorescence responses to CO(2) availability reveal crassulacean acid metabolism in epiphytic orchids.
Bekki S, Suetsugu K, Kobayashi K
Comparative analysis of backbone atom cross-correlation matrices and folding dynamics of amyloid fibril and its complexes with novel biosurfactants isolated from Bacillus strain: a binding free energy calculation (mM-PBSA) and MD simulation approach.
Das RP, Behera SK, Sahoo B, Arakha M, Pradhan AK
Comprehensive image quality comparison of conventional and new flat panel detectors under bedside chest radiography beam conditions.
Maruyama S, Saitou H
Comprehensive understanding of fluorination-performance relationship: The best-performed A-D-A-type acceptors.
Jiang Y, Su W, Wang W, Liu F, Liu W, Xu S, Zhang W, Hou J, Zhu X
Construction and Multifunctional Photonic Applications of Light Absorption-Enhanced Silicon-Based Schottky Coupled Structures.
Wu H, Lian S, Zhang J, Wang B, Bai W, Ding G, Yang S, Liu Z, Zheng L, Ye C, Wang G
Construction of An Artificial Photosynthesis System with A Single CdS QDs-Ferritin Hybrid Molecule.
Duan M, Wang Y, Zang J, Lv C, Du M, Zhao G, Zhang T
Deciphering insights into the binding mechanism and plasticity of Telacebec with M. tuberculosis cytochrome bcc-aa3 supercomplex through an unbiased molecular dynamics simulation, free-energy analysis, and DFT study.
Ray B, Roy KK
Deciphering the Catalytic Proficiency and Mechanism of the N-Acetylglucosamine Deacetylase From Pantoea dispersa.
Yang W, Chen X, Pang L, Tian H, Yang L, Xia B