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 49-60 of 228

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

Deterministic delivery of externally cold and precisely positioned single molecular ions

G. Leschhorn, S. Kahra, T. Schaetz

2011 arXiv arXiv preprint

Development of a general time-dependent absorbing potential for the constrained adiabatic trajectory method

Arnaud Leclerc, Georges Jolicard, John P. Killingbeck

2011 arXiv arXiv preprint

Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms.

Fayet G, Rotureau P, Joubert L, Adamo C

2011 PubMed Journal of molecular modeling

Diamond based single molecule magnetic resonance spectroscopy

Jianming Cai, Fedor Jelezko, Martin B. Plenio, Alex Retzker

2011 arXiv arXiv preprint

Dibutyltin(IV) complexes containing arylazobenzoate ligands: chemistry, in vitro cytotoxic effects on human tumor cell lines and mode of interaction with some enzymes.

Basu Baul TS, Paul A, Pellerito L, Scopelliti M, Singh P, Verma P, Duthie A, de Vos D, Tiekink ER

2011 PubMed Investigational new drugs

Did CDM particles of mass 2.47 x 10(-3) eV interact with precursor biopolymers and nucleic acids to initiate and boost lifeforms on Earth?

Rosen G

2011 PubMed Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life

Differential cross sections for H + D2 → HD(v' = 2, j' = 0,3,6,9) + D at center-of-mass collision energies of 1.25, 1.61, and 1.97 eV.

Bartlett NC, Jankunas J, Goswami T, Zare RN, Bouakline F, Althorpe SC

2011 PubMed Physical chemistry chemical physics : PCCP

Dipole Interaction Mediated Laser Cooling of Polar Molecules to Ultra-cold Temperatures

Sebastian D. Huber, Hans Peter Büchler

2011 arXiv arXiv preprint

Diseño de una Arquitectura para la Solucion de la Ecuacion de Schroedinger usando el Metodo de Numerov

Victor A. Rodriguez-Toro, Fabio Noguera-Leon, Jaime Velasco-Medina

2011 arXiv arXiv preprint

Driven Ratchets for Cold Atoms

F. Renzoni

2011 arXiv arXiv preprint
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