Quantum mechanical model for Maya Blue

International Journal of Quantum Chemistry

Volumn 108, Issue 10, 2008, Pages 1664-1673

  Fuentes, María E ^a   Peña, Brisa ^a   Contreras, César ^a   Montero, Ana L ^b   Chianelli, Russell ^c   Alvarado, Manuel ^c   Olivas, Ramón ^a   Rodríguez, Luz M ^a   Camacho, Héctor ^d   Montero Cabrera, Luis A ^b  

^a UNIVERSIDAD AUTÓNOMA DE CHIHUAHUA   (Mexico)

^b UNIVERSITY OF HAVANA   (Cuba)

^c UNIVERSITY OF TEXAS AT EL PASO   (United States)

^d UNIVERSIDAD AUTÓNOMA DE CIUDAD JUÁREZ   (Mexico)

Author keywords

CNDOL; DFT; Indigo; Maya blue; Visible spectrum

Indexed keywords

ALUMINOSILICATE MINERALS; CONFIGURATION INTERACTION (CIS); HEATING PROCESSES; INDIGO DERIVATIVES; MAYA BLUE; MOLECULAR SYSTEMS; ORGANIC DYES; PALYGORSKITE; PRINCIPAL FEATURES; QM LEVEL; QUANTUM MECHANICAL (QM) MODELING; STRUCTURAL EXPLANATION; SUPRAMOLECULAR CAVITY; VISIBLE SPECTRUM (VIS);

ALUMINOSILICATES; ALUMINUM; ALUMINUM COMPOUNDS; CLAY MINERALS; COMPUTER NETWORKS; FLOW INTERACTIONS; GARNETS; MOLECULES; PIGMENTS; SILICA; SILICATE MINERALS; SUPRAMOLECULAR CHEMISTRY; SYSTEM STABILITY;

MECHANICAL STABILITY;

EID: 45749132258     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21646     Document Type: Conference Paper

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