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 1369-1380 of 3,656
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
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
Molreac-Oxi: An end-to-end deep learning-quantum chemistry platform for •OH reactivity (k(OH)), pathways, and active-site insight.
Shao F, Li W, Liang Z, Wang C, Li T, Wei Z, Xu X
Monitoring the Switching from Base-on to Base-off Forms of Vitamin B(12) by Natural and Magnetic Circular Dichroism Spectroscopies.
Machalska E, Mazzeo G, Wierzba AJ, Dybaś J, Rode JE, Abbate S, Gryko D, Baranska M, Longhi G, Fusè M
Mono(Silylene)-Stabilized Borylenes for Small Molecule Activation.
Tamuli A, Phukan AK
Monolithic photon-trapping Si detector for high-efficiency ultra-broadband infrared detection.
Yu Z, Meng Z, Wang X, Zhu X, Liu Y, Fan Y, Ning Z, Sheng Y, Wu Q, Zhu J, Dai N, Zhu H
Monomeric Fluorescence of H-Aggregates in a Series of 2-(Hydroxyphenyl)benzoxazoles Derivatives.
Metelitsa AV, Vetrova EV, Tupaeva IO, Demidov OP
Monte Carlo calculated beam quality correction factors for light ions used in particle therapy.
Houyoux G, Palmans H, Reynaert N
Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale Ab Initio Calculations.
Liang Q, Yang J
Multi-modal detection methods based on vortex fluid device mediated red-emitting carbon dots for sensitive vitamin B(6) detection in food.
Yan Y, Zhang H, Tang Y, Luo X, Raston CL, Li R, Shuang S, Dong C