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.

Showing 1-12 of 228

A classical master equation for excitonic transport under the influence of an environment

A. Eisfeld, J. S. Briggs

2011 arXiv arXiv preprint

A density functional theory for studying ionization processes in water clusters.

Livshits E, Granot RS, Baer R

2011 PubMed The journal of physical chemistry. A

A multiprecision matrix calculation library and its extension library for a matrix-product-state simulation of quantum computing

Akira SaiToh

2011 arXiv arXiv preprint

A novel way to numerically characterize DNA sequences and its application.

Guo Y, Wang YF, Zhang SL

2011 PubMed International journal of quantum chemistry

A physiochemical study of excited state intramolecular proton transfer process-Luminescent chemosensor by spectroscopic investigation supported by ab initio calculations.

Jayabharathi J, Thanikachalam V, Jayamoorthy K, Perumal MV

2011 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

A practical guide for the setup of a 1H-31P-13C double cross-polarization (DCP) experiment.

Ciesielski W, Kassassir H, Potrzebowski MJ

2011 PubMed Solid state nuclear magnetic resonance

A probabilistic transmission model to assess infection risk from Mycobacterium tuberculosis in commercial passenger trains.

Chen SC, Liao CM, Li SS, You SH

2011 PubMed Risk analysis : an official publication of the Society for Risk Analysis

A Quantum-mechanical Approach for Constrained Macromolecular Chains

Gabriel F. Calvo, Ramon F. Alvarez-Estrada

2011 arXiv arXiv preprint

A theoretical investigation on optimal structures of ethane clusters (C2H6)n with n ≤ 25 and their building-up principle.

Takeuchi H

2011 PubMed Journal of computational chemistry

A Transfer Matrix Method for Resonances in Randall-Sundrum Models II: The Deformed Case

R. R. Landim, G. Alencar, M. O. Tahim, R. N. Costa Filho

2011 arXiv arXiv preprint

Absorption and emission spectroscopic characterization of lumichrome in aqueous solutions.

Tyagi A, Penzkofer A

2011 PubMed Photochemistry and photobiology

Algebraic Determination of Spectral Characteristics of Rovibrational States of Diatomic Molecules. I. Diagram Technique for Determination of Vibrational Dependences of Matrix Elements

S. A. Astashkevich

2011 arXiv arXiv preprint