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 2581-2592 of 3,656

Microwave synthesis of blue emissive carbon dots from 5-sulpho anthranilic acid and 1,5-diphenyl carbazide for sensing of levocetirizine and niflumic acid.

Vibhuti Atulbhai S, Swapna B, Kumar Kailasa S

2023 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Microwave-assisted green synthesis of carbon dots derived from wild lemon (Citrus pennivesiculata) leaves as a fluorescent probe for tetracycline sensing in water.

Venugopalan P, Vidya N

2023 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Mitochondria-targeted iridium-based photosensitizers enhancing photodynamic therapy effect by disturbing cellular redox balance.

Zhong M, He J, Zhang B, Liu Q, Fang J

2023 PubMed Free radical biology & medicine

Mixed bromine/chlorine transformation products of tetrabromobisphenol A formed in the combustion of printed circuit boards: Emission characteristics and transformation pathways.

Ge X, Gao Y, Yang Y, Chen G, Ma S, Hu B, Yu Y, An T

2023 PubMed The Science of the total environment

MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations.

Cárdenas G, Lucia-Tamudo J, Mateo-delaFuente H, Palmisano VF, Anguita-Ortiz N, Ruano L, Pérez-Barcia Á, Díaz-Tendero S, Mandado M, Nogueira JJ

2023 PubMed Journal of computational chemistry

Molecular conformation evolutions of trans HNS under high pressure.

Gao C, Li X, Wang J, Sun X, Liu S, Zhang Z

2023 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery.

Wu L, Wang G, Zhou L, Mo M, Shi Y, Li B, Yin L, Zhao Q, Yang Y, Wu C, Xu Z, Zhu W

2023 PubMed Computers in biology and medicine

Multi-targeted fluorescent probes for detection of Zn(II) and Cu(II) ions based on ESIPT mechanism.

Wu X, Shi W, Yang Y, Zhao D, Li Y

2023 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Multifold Fermions and Fermi Arcs Boosted Catalysis in Nanoporous Electride 12CaO·7Al(2) O(3).

Meng W, Zhang X, Liu Y, Dai X, Liu G, Gu Y, Kenny EP, Kou L

2023 PubMed Advanced science (Weinheim, Baden-Wurttemberg, Germany)

Nanocarriers based novel and effective drug delivery system.

Khizar S, Alrushaid N, Alam Khan F, Zine N, Jaffrezic-Renault N, Errachid A, Elaissari A

2023 PubMed International journal of pharmaceutics

Near and vacuum UV polarization spectroscopy of 1,4-distyrylbenzene.

Nguyen DD, Jones NC, Hoffmann SV, Spanget-Larsen J

2023 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Nitrogen doped biomass derived carbon dots as a fluorescence dual-mode sensing platform for detection of tetracyclines in biological and food samples.

Jia Y, Cheng Z, Wang G, Shuang S, Zhou Y, Dong C, Du F

2023 PubMed Food chemistry