Accurate density functional calculations of core electron binding energies on hydrogen-bonded systems

Journal of Physical Chemistry A

Volumn 105, Issue 31, 2001, Pages 7364-7370

  Aplincourt, Philippe ^a   Bureau, Christophe ^a   Anthoine, Jean Luc ^b   Chong, Delano P ^a,c  

^a CEA SACLAY   (France)

^b UNIVERSITÉ DE FRANCHE COMTÉ   (France)

^c UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMICAL RELAXATION; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SENSITIVITY ANALYSIS; X RAY PHOTOELECTRON SPECTROSCOPY;

CORE-ELECTRON BINDING ENERGIES (CEBE);

HYDROGEN BONDS;

EID: 0035833815     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0100194     Document Type: Article

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