A new experimental and theoretical investigation on the structures of aminoethyl phosphonic acid in aqueous medium based on the vibrational spectra and DFT calculations

Journal of Molecular Structure

Volumn 1041, Issue , 2013, Pages 73-81

  Roldán, María L ^a   Ledesma, Ana E ^b   Raschi, Ana B ^c   Castillo, María V ^c   Romano, Elida ^c   Brandán, Silvia A ^c  

^a METROPOLITAN MUSEUM OF ART   (United States)

^b UNIVERSIDAD NACIONAL DE SANTIAGO DEL ESTERO   (Argentina)

^c UNIVERSIDAD NACIONAL DE TUCUMÁN   (Argentina)

Author keywords

Aminoethylphosphonic acid; DFT calculations; Force field; Molecular structure; Vibrational spectra

Indexed keywords

DENSITY FUNCTIONAL THEORY METHODS; DFT CALCULATION; FORCE FIELDS; HARMONIC VIBRATIONAL FREQUENCIES; INFRARED AND RAMAN SPECTROSCOPY; INTRAMOLECULAR INTERACTIONS; MOLECULAR ELECTROSTATIC POTENTIALS; SELF-CONSISTENT REACTION FIELDS;

CHEMICAL BONDS; CHEMICAL COMPOUNDS; CONTINUUM MECHANICS; GEOMETRY; MOLECULAR STRUCTURE; ORGANIC ACIDS; QUANTUM THEORY; RAMAN SPECTROSCOPY; SOLUTIONS; TOPOLOGY; VIBRATIONAL SPECTRA;

DENSITY FUNCTIONAL THEORY;

EID: 84875644990     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2013.02.032     Document Type: Article

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