Quantum Chemistry

8,532 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 8101-8112 of 8,532

Verschraenkung versus Stosszahlansatz: Disappearance of the Thermodynamic Arrow in a High-Correlation Environment

M. Hossein Partovi

2007 arXiv arXiv preprint

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

Visibility Fringe Reduction Due to Noise-Induced Effects: Microscopic Approach to Interference Experiments

Paula I. Villar, Fernando C. Lombardo

2007 arXiv arXiv preprint

Visualizing Teleportation

Scott M. Cohen

2007 arXiv arXiv preprint

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