Bv

B van de Graaf

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11 records found

Molecular dynamics simulation of ethene adsorption, polarization and diffusion in three kinds of zeolites
Journal article - J Fan, HM Xao, B van de Graaf, SL Njo

Molecular dynamics simulations of ethene diffusion in orthorhombie and monoclinic MFI.
Journal article - J Fan, B van de Graaf, L Njo, H Xiao

Molecular mechanics studies of TBA and TPA in MEL and MFI

A combination of the Monte Carlo Method and molecular Mechanics Calculations: A novel way to study the Ti(IV) Distribution in Titanium Silicalite-1

Optimization of the molecular mechanics force field for clays and investigation on their structures and properties.

Extending and simplifying the electonegativity equalization method.
Journal article - SL Njo, J Fan, B van de Graaf

Delft molecular mechanics study on the structures of monoclinic MFI and H(A1) ZSM-5
Journal article - J Fan, HM Xao, B van de Graaf, SL Njo

Introduction to Zeolite Modeling
Journal article - B van de Graaf, SL Njo, KS Smirnov

Molecular mechanics calculations on the N, N-diethyl-3,5-dimethylpiperidinium ions in MEL and MFI

Delft molecular mechanical study of the adsorption of ethylene and benzene.

As-synthesized ITQ-1, the all-silica analog of MCM-22(P): ordered, disordered or something in between?