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.

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Showing 8329-8340 of 9,538

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

Density Functional Theory for Fractional Particle Number: Derivative Discontinuity of the Energy at the Maximum Number of Bound Electrons

Daniel L. Whitenack, Yu Zhang, Adam Wasserman

2011 arXiv arXiv preprint

Designer Spin Pseudomolecule Implemented with Trapped Ions in a Magnetic Gradient

A. Khromova, Ch. Piltz, B. Scharfenberger, T. F. Gloger, M. Johanning, A. F. Varón, Ch. Wunderlich

2011 arXiv arXiv preprint
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