Quantum Chemistry
9,538 papers
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 8797-8808 of 9,538
QSAR models for 2-amino-6-arylsulfonylbenzonitriles and congeners HIV-1 reverse transcriptase inhibitors based on linear and nonlinear regression methods.
Hu R, Doucet JP, Delamar M, Zhang R
2009
PubMed
European journal of medicinal chemistry
Quantitative structure-activity relationship (QSAR) for a series of novel cannabinoid derivatives using descriptors derived from semi-empirical quantum-chemical calculations.
Ferreira AM, Krishnamurthy M, Moore BM 2nd, Finkelstein D, Bashford D
2009
PubMed
Bioorganic & medicinal chemistry
Quantitative structure-property relationship studies for direct photolysis rate constants and quantum yields of polybrominated diphenyl ethers in hexane and methanol.
Fang L, Huang J, Yu G, Li X
2009
PubMed
Ecotoxicology and environmental safety
Quantum chemical studies of the adsorption of single acetone molecules on hexagonal ice I(h) and cubic ice I(c).
Somnitz H
2009
PubMed
Physical chemistry chemical physics : PCCP
Quantum Simulation of Simple Many-Body Dynamics
Yale Fan
2009
arXiv
arXiv preprint
Rapid peptide fragmentation without electrons, collisions, infrared radiation, or native chromophores.
Yeh GK, Sun Q, Meneses C, Julian RR
2009
PubMed
Journal of the American Society for Mass Spectrometry
Role of oxygen active species in the photocatalytic degradation of phenol using polymer sensitized TiO2 under visible light irradiation.
Zhang D, Qiu R, Song L, Eric B, Mo Y, Huang X
2009
PubMed
Journal of hazardous materials
S K-edge NEXAFS spectra of model systems for SO2 on TiO2 (110): a TDDFT simulation.
De Francesco R, Stener M, Fronzoni G
2009
PubMed
Physical chemistry chemical physics : PCCP
Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 2-Methylpyrazine.
Krishnakumar V, Prabavathi N
2009
PubMed
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Self-assembly drives quantum dot photoluminescence.
Plain J, Sonnefraud Y, Viste P, Lérondel G, Huant S, Royer P
2009
PubMed
Journal of fluorescence
Semisynthesis and segmental isotope labeling of the apoE3 N-terminal domain using expressed protein ligation.
Hauser PS, Raussens V, Yamamoto T, Abdullahi GE, Weers PM, Sykes BD, Ryan RO
2009
PubMed
Journal of lipid research
SERRS coded nanoparticles for biomolecular labelling with wavelength-tunable discrimination.
McKenzie F, Ingram A, Stokes R, Graham D
2009
PubMed
The Analyst