Density Functional Theory Study of NO Adsorbed in A-Zeolite (original) (raw)
Adsorption of NO in Li-exchanged zeolite A. A density functional theory study
Anders Lund
Chemical Physics Letters, 2010
View PDFchevron_right
Modeling of Adsorption Properties of Zeolites: Correlation with the Structure
Annick Goursot
The Journal of Physical Chemistry B, 1997
View PDFchevron_right
Modeling of N2 and O2 Adsorption in Zeolites
Imre Pápai
The Journal of Physical Chemistry, 1995
View PDFchevron_right
Relationships between the structure of a zeolite and its adsorption properties
Annick Goursot
Surface Science, 1998
View PDFchevron_right
An assessment of density functional methods for studing molecular adsorption in cluster models of zeolites
Stan Zygmunt
J Mol Struc Theochem, 1998
View PDFchevron_right
An ab initio study of adsorption related properties of diatomic molecules in zeolites
Frederik Tielens
View PDFchevron_right
Molecular Modeling of Interactions in Zeolites: An Ab Initio Embedded Cluster Study of NH3 Adsorption in Chabazite
thành phú trương
The Journal of Physical Chemistry B, 1999
View PDFchevron_right
Computational studies of water adsorption in zeolites
Stan Zygmunt
Studies in Surface Science and Catalysis, 1995
View PDFchevron_right
Prediction of adsorption of xenon in zeolite NaA with molecular density functional theory
Martha Mitchell
Zeitschrift f�r Physik B Condensed Matter, 1995
View PDFchevron_right
Potential Model Development Using Quantum Chemical Information for Molecular Simulation of Adsorption Equilibria of Water−Methanol (Ethanol) Mixtures in Zeolite NaA4
Tamás Kristóf
Journal of Physical Chemistry C, 2009
View PDFchevron_right
Adsorption in zeolites: intermolecular interactions and computer simulation
Roland Pellenq
Advances in Colloid and Interface Science, 1998
View PDFchevron_right
Adsorption of parent nitrosamine on the nanocrystaline M-ZSM-5 zeolite: A density functional study
Mahjoubeh Jahantab
View PDFchevron_right
Theoretical study of NO2 adsorption on a transition-metal zeolite model
Anibal Sierraalta
Journal of Catalysis, 2002
View PDFchevron_right
Adsorption of NO, NO2 and H2O in divalent cation faujasite type zeolites: a density functional theory screening approach
ABDELLATIF HASNAOUI
Physical Chemistry Chemical Physics
View PDFchevron_right
Molecular simulation of adsorption of alkanes in sodium MOR-type zeolites using a new force field
Berend Smit
Physical Chemistry Chemical Physics, 2006
View PDFchevron_right
Mechanism of Oxygen Adsorption on Partially K Exchanged Na-A Type Zeolite
Motoyuki Suzuki
2000
View PDFchevron_right
Adsorption sites in zeolites A and X probed by competitive adsorption of H{sub 2} with N{sub 2} or O{sub 2} : implications for N{sub 2}/O{sub 2} separation
Amy Graves
1998
View PDFchevron_right
The dependence on ammonia pretreatment of N−O activation by Co(II) sites in zeolites: a DFT and ab initio molecular dynamics study
Kinga Góra-Marek
Journal of Molecular Modeling, 2017
View PDFchevron_right
Quantum Chemical Study of Low-pressure Adsorption in Zeolitic Materials
Pluton Pullumbi
The Journal of Physical Chemistry B, 2001
View PDFchevron_right
Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity
Berend Smit
Chemical Reviews, 2008
View PDFchevron_right
Design of an Organic Zeolite toward the Selective Adsorption of Small Molecules at the Dispersion Corrected Density Functional Theory Level
maniragarura nestor
The Journal of Physical Chemistry B, 2009
View PDFchevron_right
Evaluation of confinement effects in zeolites under Henry's adsorption regime
Joan Llorens
Applied Surface Science, 2010
View PDFchevron_right
Elucidating alkane adsorption in sodium-exchanged zeolites from molecular simulations to empirical equations
Berend Smit
Applied Surface Science, 2005
View PDFchevron_right
Interaction of diatomic molecules with nickel ions inside the channels of high silica zeolites – an EPR and DFT study
Zbigniew Sojka
View PDFchevron_right
Adsorption energy surfaces in faujasite type zeolites
Frederik Tielens
Chemical Physics Letters, 2002
View PDFchevron_right
A computational study of CO2, N2, and CH4 adsorption in zeolites
Jasper van Baten
Adsorption, 2007
View PDFchevron_right
Co-adsorption NO and organic molecules on Cu+ sites in zeolites: Quantum chemical DFT calculations
Paweł Kozyra
Journal of Molecular Structure: THEOCHEM, 2006
View PDFchevron_right
Density Functional Studies of Alkali-Exchanged Zeolites. Cation Location at Six-Rings of Different Aluminum Content
Markus Staufer
Journal of Physical Chemistry B - J PHYS CHEM B, 1999
View PDFchevron_right
Adsorption and Diffusion in Zeolites
soleyman ramezani
View PDFchevron_right
Effect of the water coverage on the interaction of O2 and H2 with the Na-LTA zeolite by first-principles simulations
Freddy Alberto Torrealba Anzola
Inorganic Chemistry Frontiers
View PDFchevron_right
Periodic density functional investigation of Lewis acid sites in zeolites: relative strength order as revealed from NH3 adsorption
Michihisa Koyama
Applied Surface Science, 2005
View PDFchevron_right
Monte Carlo Simulation of Single- and Binary-Component Adsorption of CO 2 , N 2 , and H 2 in Zeolite Na-4A
Demet Akten
Energy & Fuels, 2003
View PDFchevron_right