Quantum Chemistry

228 papers for year 2011

Quantum Chemistry Research Context

This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.

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All sources 228 arXiv preprints 122 Europe PMC 15 PubMed 87 DOAJ 4
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Showing 37-48 of 228

Coherent control of mesoscopic superpositions in a diatomic molecule

Suranjana Ghosh

2011 arXiv arXiv preprint

Competitive diamond-like and endohedral fullerene structures of Si70.

Zhao LZ, Su WS, Lu WC, Wang CZ, Ho KM

2011 PubMed Journal of computational chemistry

Computational characterization of reaction intermediates in the photocycle of the sensory domain of the AppA blue light photoreceptor.

Khrenova MG, Domratcheva T, Schlichting I, Grigorenko BL, Nemukhin AV

2011 PubMed Photochemistry and photobiology

Computational prediction of selectivities in nonreversible and reversible hydroformylation reactions catalyzed by unmodified rhodium-carbonyls.

Alagona G, Lazzaroni R, Ghio C

2011 PubMed Journal of molecular modeling

Conformational transitions of glycine induced by vibrational excitation of the O-H stretch.

Shmilovits-Ofir M, Miller Y, Gerber RB

2011 PubMed Physical chemistry chemical physics : PCCP

Correlated interaction fluctuations in photosynthetic complexes

Sebastiaan M. Vlaming, Robert J. Silbey

2011 arXiv arXiv preprint

Correlation energy of a homogeneous dipolar Fermi gas

Bo Liu, Lan Yin

2011 arXiv arXiv preprint

Current reversals in a rocking ratchet: the frequency domain

A. Wickenbrock, D. Cubero, N. A. Abdul Wahab, P. Phoonthong, F. Renzoni

2011 arXiv arXiv preprint

d-Wave Superfluidity in Optical Lattices of Ultracold Polar Molecules

Kevin A. Kuns, Ana Maria Rey, Alexey V. Gorshkov

2011 arXiv arXiv preprint

Deflection of Rotating Symmetric Molecules by Inhomogeneous Fields

Erez Gershnabel, Ilya Sh. Averbukh

2011 arXiv arXiv preprint

Density functional study of structural, electronic, and optical properties of small bimetallic ruthenium-copper clusters.

Karagiannis EE, Kefalidis CE, Petrakopoulou I, Tsipis CA

2011 PubMed Journal of computational chemistry

Density functional theory combined with molecular mechanics: the infrared spectra of flavin in solution.

Rieff B, Mathias G, Bauer S, Tavan P

2011 PubMed Photochemistry and photobiology
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