Accurate calculation of C1s core electron binding energies of some carbon hydrates and substituted benzenes

Yuji Takahata; Alberto Marques; Rogério Custódio

doi:10.1016/j.theochem.2010.08.014

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Accurate calculation of C1s core electron binding energies of some carbon hydrates and substituted benzenes

Yuji Takahata Alberto Marques Rogério Custódio

Year: 2010 Journal: Journal of Molecular Structure THEOCHEM Vol: 959 (1-3)Pages: 106-112 Publisher: Elsevier BV

DOI: 10.1016/j.theochem.2010.08.014

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Keywords:

Adiabatic process Chemistry Ground state Core electron Density functional theory Absolute deviation Atomic physics Relativistic quantum chemistry Binding energy Electron Physics Computational chemistry Thermodynamics Quantum mechanics

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Advanced Chemical Physics Studies

Physical Sciences → Physics and Astronomy → Atomic and Molecular Physics, and Optics

Free Radicals and Antioxidants

Physical Sciences → Chemistry → Organic Chemistry

Photochemistry and Electron Transfer Studies

Physical Sciences → Chemistry → Physical and Theoretical Chemistry

Accurate calculation of C1s core electron binding energies of some carbon hydrates and substituted benzenes

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