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 1465-1476 of 3,656
NMR-guided isolation of alkaloids from Nigella glandulifera seeds and their bioactivities.
Tudi T, Rouzimaimaiti R, Zang D, Zhao J, Aisa HA
No heme-chlorite adduct in the catalytic cycle of chlorite dismutase: Insight from QM/MM and dynamics calculations.
Cosma SR, Gorgan D, Brânzanic AMV, Silaghi-Dumitrescu R
Non-adiabatic quantum interference and complex formation in ultracold collisions of Rb with KRb.
Kendrick BK, Li H, Kłos J, Kotochigova S
Non-Benzenoid π-Electronic Perturbation Enables Frontier-Orbital Symmetry Reconstruction in Ultra-Narrowband Organic Luminophores.
Shang J, Zhu ZL, Zhong C, Cao X, Yin X, Yang C
Non-Bivariational Time-Dependent Orbital-Quasi-Optimized Coupled-Cluster Methods Family for Fermion-Mixtures Dynamics.
Lang H, Sato T
Non-directly bonded single-atom pairs towards H(2)/CO electrooxidation.
Yang T, Liu H, Liu H, Zhao W, Ge J, Wang W, Yang S, Tang M, Wei K, Wang K, Qi Z, Wang X, Li H, Ge J
Non-invasive breast cancer detection: Leveraging the potential of BN-doped C(60) heterofullerene for formaldehyde sensing using DFT theory.
Chagaleti BK, Toghan A, Zaki MEA, Oubella A, Haggam RA
Non-targeted analysis using liquid chromatograph-hybrid mass spectrometer reveals growth substrates of Pseudomonas aeruginosa in tap water.
Uehara Y, Takanashi H, Kasuga I, Kurisu F
Nonadiabatic molecular dynamics simulations of charge transport in a covalent organic framework.
Beljonne D, Cornil D, Gali SM, Liu Z, Wang L, Cerdá J, Giannini S
Nonaromatic polymer-deep eutectic solvent complexes with ultralong room-temperature and high-temperature phosphorescence.
Zhong X, Bai Y, Qiao G, Shi Y, Xie W, Xiao J, Deng J, Duan H, Zhang Y, Wang H
Noncovalent Macrocyclic Encapsulation via Terminal "Dynamic Locking" Enabling High-Performance Nonfused Ring Electron Acceptors.
Zhou Y, Zhu Q, Wei N, Ran G, Shen S, Li M, Zhang W, Zhang R, Yuan S, Ma Z, Zhang W, Li H, Liu Y, Qin R, Tang X, Xia C, Bo Z, Song J
Noncovalent Mg···N Interactions as Tunable Electronic Perturbations in Pyridine-Based Single-Molecule Junctions.
Sutradhar D, Sarmah A, Nakajima T, Hobza P, Chandra AK