A DFT study of RuO4 interactions with porous materials: metal–organic frameworks (MOFs) and zeolites

Effects of Zeolitic Parameters and Irradiation on the Retention Properties of Silver Zeolites Exposed to Molecular Iodine

(2018) Bruno Azambre et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Dynamic sorption properties of Metal-Organic Frameworks for the capture of methyl iodide

(2018) Mouheb Chebbi et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Mishandling of spent nuclear fuel in Russia may have caused radioactivity to spread across Europe

(2018) Edwin Cartlidge   SCIENCE

Capture of Iodine Species in MIL-53(Al), MIL-120(Al), and HKUST-1(Cu) Periodic DFT and Ab-Initio Molecular Dynamics Studies

(2017) Siwar Chibani et al.   Journal of Physical Chemistry C

Influence of structural, textural and chemical parameters of silver zeolites on the retention of methyl iodide

(2017) M. Chebbi et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Dissociative iodomethane adsorption on Ag-MOR and the formation of AgI clusters: an ab initio molecular dynamics study

(2017) Tomáš Bučko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Radiolytic Oxidation of Ruthenium Oxide Deposits

(2017) C. Mun et al.   NUCLEAR TECHNOLOGY

Stability of metal–organic frameworks under gamma irradiation

(2016) C. Volkringer et al.   CHEMICAL COMMUNICATIONS

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

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

(2016) Siwar Chibani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

In silico screening of metal organic framework for iodine capture and storage

(2014) Bassem Assfour et al.   CHEMICAL PHYSICS LETTERS

Insights into Brønsted Acid Sites in the Zeolite Mordenite

(2014) Dmitry B. Lukyanov et al.   Journal of Physical Chemistry C

Capture of iodine in highly stable metal–organic frameworks: a systematic study

(2013) Clément Falaise et al.   CHEMICAL COMMUNICATIONS

Competitive I2 Sorption by Cu-BTC from Humid Gas Streams

(2013) Dorina F. Sava et al.   CHEMISTRY OF MATERIALS

Adsorption of Propane and Propylene on CuBTC Metal–Organic Framework: Combined Theoretical and Experimental Investigation

(2013) Miroslav Rubeš et al.   Journal of Physical Chemistry C

Comparison of the Chernobyl and Fukushima nuclear accidents: A review of the environmental impacts

(2013) Georg Steinhauser et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Confined synthesis of hierarchical structured LiMnPO4/C granules by a facile surfactant-assisted solid-state method for high-performance lithium-ion batteries

(2013) Longfei Zhang et al.   Journal of Materials Chemistry A

Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory

(2011) Loredana Valenzano et al.   CHEMISTRY OF MATERIALS

Tracking of Airborne Radionuclides from the Damaged Fukushima Dai-Ichi Nuclear Reactors by European Networks

(2011) O. Masson et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Capture of Volatile Iodine, a Gaseous Fission Product, by Zeolitic Imidazolate Framework-8

(2011) Dorina F. Sava et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Importance of London dispersion effects for the packing of molecular crystals: a case study for intramolecular stacking in a bis-thiophene derivative

(2010) Jonas Moellmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The pervasive chemistry of metal–organic frameworks

(2009) Jeffrey R. Long et al.   CHEMICAL SOCIETY REVIEWS

Occurrence of Uncommon Infinite Chains Consisting of Edge-Sharing Octahedra in a Porous Metal Organic Framework-Type Aluminum Pyromellitate Al4(OH)8[C10O8H2] (MIL-120): Synthesis, Structure, and Gas Sorption Properties

(2009) Christophe Volkringer et al.   CHEMISTRY OF MATERIALS

Deposition of RuO4 on various surfaces in a nuclear reactor containment

(2009) Joachim Holm et al.   JOURNAL OF NUCLEAR MATERIALS

Recent advances in understanding ruthenium behaviour under air-ingress conditions during a PWR severe accident

(2009) P. Giordano et al.   PROGRESS IN NUCLEAR ENERGY

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

Computational Study of Brønsted Acidity of Faujasite. Effect of the Al Content on the Infrared OH Stretching Frequencies

(2008) German Sastre et al.   Journal of Physical Chemistry C

A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability

(2008) Jasmina Hafizovic Cavka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Extraframework cation distributions in X and Y faujasite zeolites: A review

(2008) T. Frising et al.   MICROPOROUS AND MESOPOROUS MATERIALS