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 3229-3240 of 3,656
Theoretical analysis on retention behavior of pigments in reversed-phase high-performance liquid chromatographic (HPLC).
Song Y, Zhou J, Song Y, Xie J, Ye Y
2007
PubMed
Computers in biology and medicine
Theoretical infrared spectra of large polycyclic aromatic hydrocarbons.
Pathak A, Rastogi S
2007
PubMed
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Tunable laser diodes for the 1250-1650 nm spectral range.
Duraev VP, Marmalyuk AA, Petrovskiy AV
2007
PubMed
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, trimethylstannyl, and trimethylplumbyl derivatives of 3,3-dimethylcyclopropene IX. 3,3-Dimethyl-1-(trimethylplumbyl)cyclopropene.
De Maré GR, Panchenko YN, Abramenkov AV
2007
PubMed
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
X-ray crystallographic, spectroscopic and quantum chemical studies on ethyl 2-cyano-3-N ,N-dimethyl amino acrylate.
Gupta VP, Sharma A, Dinesh, Rajnikant
2007
PubMed
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
A kinetic study of the reactions of Fe+ with N2O, N2, O2, CO2 and H2O, and the ligand-switching reactions Fe+.X + Y --> Fe+.Y + X (X = N2, O2, CO2; Y = O2, H2O).
Vondrak T, Woodcock KR, Plane JM
2006
PubMed
Physical chemistry chemical physics : PCCP
A two-photon excitation fluorescence cross-correlation assay for a model ligand-receptor binding system using quantum dots.
Swift JL, Heuff R, Cramb DT
2006
PubMed
Biophysical journal
Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO.
Rössler N, Kotsis K, Staemmler V
2006
PubMed
Physical chemistry chemical physics : PCCP
Advances in fluorescence imaging with quantum dot bio-probes.
Pinaud F, Michalet X, Bentolila LA, Tsay JM, Doose S, Li JJ, Iyer G, Weiss S
2006
PubMed
Biomaterials
Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations.
Krishnakumar V, Dheivamalar S, Xavier RJ, Balachandran V
2006
PubMed
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Anion of hypericin is crucial to understanding the photosensitive features of the pigment.
Shen L, Ji HF, Zhang HY
2006
PubMed
Bioorganic & medicinal chemistry letters
Atomic orbitals in molecules: general electronegativity and improvement of Mulliken population analysis.
Lu H, Dai D, Yang P, Li L
2006
PubMed
Physical chemistry chemical physics : PCCP