Impact of the Si/Al ratio on the selective capture of iodine compounds in silver-mordenite: a periodic DFT study

A DFT investigation of the adsorption of iodine compounds and water in H-, Na-, Ag-, and Cu- mordenite

(2016) Siwar Chibani et al.   JOURNAL OF CHEMICAL PHYSICS

Materials and processes for the effective capture and immobilization of radioiodine: A review

(2016) Brian J. Riley et al.   JOURNAL OF NUCLEAR MATERIALS

Scaling Relationships for Molecular Adsorption and Dissociation in Lewis Acid Zeolites

(2016) Brandon C. Bukowski et al.   Journal of Physical Chemistry C

Advances in theory and their application within the field of zeolite chemistry

(2015) Veronique Van Speybroeck et al.   CHEMICAL SOCIETY REVIEWS

The role of spatial constraints and entropy in the adsorption and transformation of hydrocarbons catalyzed by zeolites

(2015) Tomáš Bučko et al.   JOURNAL OF CATALYSIS

Capture of iodine from the vapour phase and immobilisation as sodalite

(2015) E.R. Maddrell et al.   JOURNAL OF NUCLEAR MATERIALS

Single-site trinuclear copper oxygen clusters in mordenite for selective conversion of methane to methanol

(2015) Sebastian Grundner et al.   Nature Communications

Extending the applicability of the Tkatchenko-Scheffler dispersion correction via iterative Hirshfeld partitioning

(2014) Tomáš Bučko et al.   JOURNAL OF CHEMICAL PHYSICS

Silver-mordenite for radiologic gas capture from complex streams: Dual catalytic CH3I decomposition and I confinement

(2014) Tina M. Nenoff et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Improved Density Dependent Correction for the Description of London Dispersion Forces

(2013) Tomáš Bučko et al.   Journal of Chemical Theory and Computation

Siting and Distribution of Framework Aluminium Atoms in Silicon-Rich Zeolites and Impact on Catalysis

(2012) J. Dědeček et al.   CATALYSIS REVIEWS-SCIENCE AND ENGINEERING

Monomolecular cracking of propane over acidic chabazite: An ab initio molecular dynamics and transition path sampling study

(2011) Tomáš Bučko et al.   JOURNAL OF CATALYSIS

Density Functional Theory Study of the Carbonyl-ene Reaction of Encapsulated Formaldehyde in Cu(I), Ag(I), and Au(I) Exchanged FAU Zeolites

(2011) Sippakorn Wannakao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Density Functional Theory Study on the Adsorption of H2S and Other Claus Process Tail Gas Components on Copper- and Silver-Exchanged Y Zeolites

(2011) Chun-Yi Sung et al.   Journal of Physical Chemistry C

Radioactive Iodine Capture in Silver-Containing Mordenites through Nanoscale Silver Iodide Formation

(2010) Karena W. Chapman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS