Molecular mechanics studies on MFI-typezeolites: Part 4. Energetics of crystal growth directing agents

Zeolites

Volumn 13, Issue 3, 1993, Pages 216-221

  de Vos Burchart, E ^a   Jansen, J C ^a   van de Graaf, B ^a   van Bekkum, H ^a  

^a Laboratory of Organic Chemistry and Catalysis Delft University of Technology Delft TheNetherlands ^*

Author keywords

crystal growth and morphology; Molecular mechanics calculations; template energetics

Indexed keywords

CALCULATIONS; CRYSTAL GROWTH; MORPHOLOGY; PHYSICAL PROPERTIES; SYNTHESIS (CHEMICAL);

CRYSTAL GROWTH DIRECTING AGENTS; ENERGETICS; HEXAPROPOPYL HEXANEDIAMMONIUM; MFI TYPE ZEOLITES; MOLECULAR MECHANICS;

ZEOLITES;

EID: 0027559208     PISSN: 01442449     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0144-2449(05)80280-5     Document Type: Article

References (16)

1. Molecular Mechanics Studies on MFI Type Zeolites. 1. Effect of p-Xylene Adsorption on the Zeolite Structure
2. Molecular Mechanics Studies on MFI Type Zeolites. 2. Isomorphous Substitution by Aluminium
3. Empirical force field calculations VI: Exploration of reaction paths for the interconversion of conformers. Application to the interconversion of the cyclohexane conformers
4. The Lagrange multiplier method for manipulating geometries. Implementation and applications in molecular mechanics
5. A stable, rapidly converging conjugate gradient method for energy minimization
6. On the location and disorder of the tetrapropylammonium (TPA) ion in zeolite ZSM-5 with improved framework accuracy