Quantum Chemistry

87 papers for year 2011 from PubMed

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 87

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 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 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

Absorption and emission spectroscopic characterization of lumichrome in aqueous solutions.

Tyagi A, Penzkofer A

2011 PubMed Photochemistry and photobiology

Angular scattering using parameterized S matrix elements for the H + D2(v(i) = 0, j(i) = 0) → HD(v(f) = 3, j(f) = 0) + D reaction: an example of Heisenberg's S matrix programme.

Shan X, Connor JN

2011 PubMed Physical chemistry chemical physics : PCCP

Anisotropic Confinement, Electronic Coupling and Strain Induced Effects Detected by Valence-Band Anisotropy in Self-Assembled Quantum Dots.

Villegas-Lelovsky L, Teodoro MD, Lopez-Richard V, Calseverino C, Malachias A, Marega E Jr, Liang BL, Mazur YI, Marques GE, Trallero-Giner C, Salamo GJ

2011 PubMed Nanoscale research letters

Aqueous synthesis of CdTe/CdS/ZnS quantum dots and their optical and chemical properties.

Li Z, Dong C, Tang L, Zhu X, Chen H, Ren J

2011 PubMed Luminescence : the journal of biological and chemical luminescence

Aqueous synthesis of CdTe/CdSe core/shell quantum dots as pH-sensitive fluorescence probe for the determination of ascorbic acid.

Yang SS, Ren CL, Zhang ZY, Hao JJ, Hu Q, Chen XG

2011 PubMed Journal of fluorescence

Aromaticity balance, π-electron cooperativity and H-bonding properties in tautomerism of salicylideneaniline: the quantum theory of atoms in molecules (QTAIM) approach.

Karabıyık H, Sevinçek R, Petek H, Aygün M

2011 PubMed Journal of molecular modeling