Interactions between neutral molecules and Ca2+: An assessment of theoretical procedures

Journal of Physical Chemistry A

Volumn 107, Issue 48, 2003, Pages 10456-10461

  Corral, Inés ^a   Mó, Otilia ^a   Yáñez, Manuel ^a   Scott, Anthony P ^b   Radom, Leo ^b,c  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^c UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; BINDING ENERGY; CALCIUM; FORMALDEHYDE; MOLECULAR VIBRATIONS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; PROTONS;

DENSITY FUNCTIONAL THEORY; NEUTRAL MOLECULES;

MOLECULAR DYNAMICS;

EID: 0347578180     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0363491     Document Type: Article

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