Theoretic-information entropies analysis of nanostructures: Ab initio study of PAMAM precursors and dendrimers G0 to G3

Molecular Simulation

Volumn 35, Issue 6, 2009, Pages 498-511

  Esquivel, R O ^a,b   Flores Gallegos, N ^b   Carrera, E M ^b   Dehesa, J S ^a   Angulo, J C ^a   Antolin, J ^a,c   Soriano Correa, C ^d  

^a UNIVERSITY OF GRANADA   (Spain)

^b DEPARTAMENTO DE QUÍMICA   (Mexico)

^c UNIVERSITY OF ZARAGOZA   (Spain)

^d UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Ab initio calculations; Dendrimers; Information theory; Nanostructure; PAMAM

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO STUDY; AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; ASPHERICITY; CHEMICAL INDICES; DENSE CORE; DESCRIPTORS; ELECTROPHILICITY INDEX; HARTREE-FOCK; INFORMATION ENTROPY; MOMENTS OF INERTIA; MOMENTUM SPACES; NANO-STRUCTURED; POLYAMIDOAMINE DENDRIMERS; RADIUS OF GYRATION; SHANNON ENTROPY; TETRAMERS; TOTAL ENERGY;

ATOMS; DENDRIMERS; ELECTRONIC STRUCTURE; ENTROPY; INFORMATION THEORY; MOLECULES; NANOSTRUCTURES; OLIGOMERS;

HILBERT SPACES;

EID: 73349084937     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020902833087     Document Type: Conference Paper

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