Quantum chemical study of the coordination of glycolic acid conformers and their conjugate bases to [Ca(OH2)n]2+ (n = 0-4) ions

Journal of Molecular Structure: THEOCHEM

Volumn 630, Issue 1-3, 2003, Pages 81-100

  Tsipis, Athanassios C ^a   Tsipis, Constantinos A ^a   Valla, Vicky ^a  

^a ARISTOTLE UNIVERSITY OF THESSALONIKI   (Greece)

Author keywords

(Aqua)(glycolato)calcium complexes; Density functional theory; Glycolato ligand; Glycolatocalcium complexes; Glycolic acid

Indexed keywords

ANION; CALCIUM DERIVATIVE; CALCIUM HYDROXIDE; CALCIUM ION; CARBOXYLIC ACID; CATION; GLYCOLIC ACID; LIGAND; METAL; PROTON; WATER;

BINDING AFFINITY; CHEMICAL BOND; CIS TRANS ISOMERISM; COMPLEX FORMATION; CONFERENCE PAPER; CONFORMATION; CONJUGATE; DENSITY; DIPOLE; DISSOCIATION; ELECTRICITY; ELECTRON; ENERGY; GEOMETRY; ISOMER; METHODOLOGY; MOLECULAR INTERACTION; MOLECULE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PREDICTION; PROTON TRANSPORT; QUANTUM CHEMISTRY; RELIABILITY; SURFACE CHARGE; THEORETICAL MODEL; THEORETICAL STUDY; THEORY; VACUUM; VIBRATION;

EID: 0038168315     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00148-9     Document Type: Conference Paper

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