Calibration of computationally predicted N 1s binding energies by comparison with X-ray photoelectron spectroscopy measurements

Journal of Electron Spectroscopy and Related Phenomena

Volumn 175, Issue 1-3, 2009, Pages 31-40

  Leftwich, Timothy R ^a   Teplyakov, Andrew V ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

DFT; p Nitroaniline; XPS

Indexed keywords

CONDENSED PHASE; DFT; EXPERIMENTAL MEASUREMENTS; EXPERIMENTAL SPECTRA; GAS PHASE MOLECULES; GASPHASE; MULTIPLE BASIS; NITROGEN ATOM; P-NITROANILINE; PARA-NITRO-ANILINE; PARTIAL CHARGES; XPS;

ANILINE; BINDING ENERGY; BINDING SITES; DENSITY FUNCTIONAL THEORY; GASES; NITROGEN COMPOUNDS; NUCLEAR ENERGY; PHOTOELECTRICITY; PHOTOIONIZATION; PHOTONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

X RAY PHOTOELECTRON SPECTROSCOPY;

EID: 70350621344     PISSN: 03682048     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.elspec.2009.07.002     Document Type: Article

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