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 2989-3000 of 3,656

Analysis of vibrational spectra of 1-chloro-2,4-dinitrobenzene based on density functional theory calculations.

Krishnakumar V, Prabavathi N

2009 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Aqueous synthesis and characterization of CdS, CdS:Zn(2+) and CdS:Cu(2+) quantum dots.

Unni C, Philip D, Smitha SL, Nissamudeen KM, Gopchandran KG

2009 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Biosynthesis of cadmium sulfide nanoparticles by photosynthetic bacteria Rhodopseudomonas palustris.

Bai HJ, Zhang ZM, Guo Y, Yang GE

2009 PubMed Colloids and surfaces. B, Biointerfaces

Cadmium and zinc uptake and toxicity in two strains of Microcystis aeruginosa predicted by metal free ion activity and intracellular concentration.

Zeng J, Yang L, Wang WX

2009 PubMed Aquatic toxicology (Amsterdam, Netherlands)

Characterization of TiO(2)-chitosan/glass photocatalyst for the removal of a monoazo dye via photodegradation-adsorption process.

Zainal Z, Hui LK, Hussein MZ, Abdullah AH, Hamadneh IM

2009 PubMed Journal of hazardous materials

Clarification of the binding model of lead(II) with a highly sensitive and selective fluoroionophore sensor by spectroscopic and structural study.

Ma L, Li Y, Li L, Wu Y, Buchet R, Ding Y

2009 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Competition between energy transfer quenching and chelation enhanced fluorescence in a Cu (II) coordinated conjugated polymer system.

Fan LJ, Martin JJ, Jones WE Jr

2009 PubMed Journal of fluorescence

Computational study of steric and spectroscopic characteristics of bi-chromophoric cyanine dyes: comparison with experimental data.

Schaberle FA, Galembeck SE, Borissevitch IE

2009 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Density functional and Møller-Plesset studies of cyclobutanone[...]HF and [...]HCl complexes.

Hooshyar H, Rahemi H, Akhbari Shad MH, Khezri B

2009 PubMed Journal of molecular modeling

Density functional studies of closed-shell attractions of S(AuPH3)2 and HS(AuPH3)2 + and their dimers.

Fang H, Zhang XG, Wang SG

2009 PubMed Journal of molecular modeling

Design of laser pulses for selective vibrational excitation of the N6-H bond of adenine and adenine-thymine base pair using optimal control theory.

Sharma S, Sharma P, Singh H, Balint-Kurti GG

2009 PubMed Journal of molecular modeling

Detection and downregulation of type I IGF receptor expression by antibody-conjugated quantum dots in breast cancer cells.

Zhang H, Sachdev D, Wang C, Hubel A, Gaillard-Kelly M, Yee D

2009 PubMed Breast cancer research and treatment