Related references
Note: Only part of the references are listed.Water: A promoter of ammonia selective catalytic reduction over copper-exchanged LTA zeolites
Yang Liu et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2021)
Mobility of Cu Ions in Cu-SSZ-13 Determines the Reactivity of Selective Catalytic Reduction of NOx with NH3
Hwangho Lee et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)
Mobility and Reactivity of Cu+ Species in Cu-CHA Catalysts under NH3-SCR-NOx Reaction Conditions: Insights from AIMD Simulations
Reisel Millan et al.
JACS AU (2021)
A Complete Multisite Reaction Mechanism for Low-Temperature NH3-SCR over Cu-CHA
Lin Chen et al.
ACS CATALYSIS (2020)
An experimental and modelling study of the reactivity of adsorbed NH3 in the low temperature NH3-SCR reduction half-cycle over a Cu-CHA catalyst
Nicola Usberti et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2020)
Theoretical and Spectroscopic Evidence of the Dynamic Nature of Copper Active Sites in Cu-CHA Catalysts under Selective Catalytic Reduction (NH3-SCR-NOx) Conditions
Reisel Millan et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Spectroscopic Evidence and Density Functional Theory (DFT) Analysis of Low-Temperature Oxidation of Cu+ to Cu2+NOx in Cu-CHA Catalysts: Implications for the SCR-NOx Reaction Mechanism
Marta Moreno-Gonzalez et al.
ACS CATALYSIS (2019)
A Review of Low Temperature NH3-SCR for Removal of NOx
Devaiah Damma et al.
CATALYSTS (2019)
Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment
You Lu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Effects of copper loading on NH3-SCR and NO oxidation over Cu impregnated CHA zeolite
Nusnin Akter et al.
KOREAN JOURNAL OF CHEMICAL ENGINEERING (2018)
Unified mechanistic model for Standard SCR, Fast SCR, and NO2 SCR over a copper chabazite catalyst
M. Bendrich et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2018)
Investigating the Low Temperature Formation of Cu-II-(N,O) Species on Cu-CHA Zeolites for the Selective Catalytic Reduction of NOx
Chiara Negri et al.
CHEMISTRY-A EUROPEAN JOURNAL (2018)
Activation of oxygen on (NH3-Cu-NH3)+ in NH3-SCR over Cu-CHA
Lin Chen et al.
JOURNAL OF CATALYSIS (2018)
The discrimination of 72 nitrate, chlorate and perchlorate salts using IR and Raman spectroscopy
Felix Zapata et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2018)
Operando Spectroscopic Studies of Cu-SSZ-13 for NH3-SCR deNOx Investigates the Role of NH3 in Observed Cu(II) Reduction at High NO Conversions
Alex G. Greenaway et al.
TOPICS IN CATALYSIS (2018)
Time-resolved copper speciation during selective catalytic reduction of NO on Cu-SSZ-13
Adrian Marberger et al.
NATURE CATALYSIS (2018)
Mechanistic insights into aqueous phase propanol dehydration in H-ZSM-5 zeolite
Donghai Mei et al.
AICHE JOURNAL (2017)
Selective Catalytic Reduction over Cu/SSZ-13: Linking Homo- and Heterogeneous Catalysis
Feng Gao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Dynamic multinuclear sites formed by mobilized copper ions in NOx selective catalytic reduction
Christopher Paolucci et al.
SCIENCE (2017)
Understanding Catalytic Reactions over Zeolites: A Density Functional Theory Study of Selective Catalytic Reduction of NOx by NH3 over Cu-SAPO-34
Yu Mao et al.
ACS CATALYSIS (2016)
A multi-site kinetic model for NH3-SCR over Cu/SSZ-13
Louise Olsson et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2015)
The influence of CO2 and H2O on selective catalytic reduction of NO by NH3 over Cu/SAPO-34 catalyst
Tie Yu et al.
CHEMICAL ENGINEERING JOURNAL (2015)
A Consistent Reaction Scheme for the Selective Catalytic Reduction of Nitrogen Oxides with Ammonia
Ton V. W. Janssens et al.
ACS CATALYSIS (2015)
Interaction of NH3 with Cu-SSZ-13 Catalyst: A Complementary FTIR, XANES, and XES Study
Filippo Giordanino et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
ChemShell-a modular software package for QM/MM simulations
Sebastian Metz et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)
Characterization of commercial Cu-SSZ-13 and Cu-SAPO-34 catalysts with hydrothermal treatment for NH3-SCR of NOx in diesel exhaust
Lei Ma et al.
CHEMICAL ENGINEERING JOURNAL (2013)
Experimental Study of the NO Oxidation to NO2 Over Metal Promoted Zeolites Aimed at the Identification of the Standard SCR Rate Determining Step
Maria Pia Ruggeri et al.
TOPICS IN CATALYSIS (2013)
Current Understanding of Cu-Exchanged Chabazite Molecular Sieves for Use as Commercial Diesel Engine DeNOx Catalysts
Feng Gao et al.
TOPICS IN CATALYSIS (2013)
Confirmation of Isolated Cu2+ Ions in SSZ-13 Zeolite as Active Sites in NH3-Selective Catalytic Reduction
Upakul Deka et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Heat of adsorption for NH3, NO2 and NO on Cu-Beta zeolite using microcalorimeter for NH3 SCR applications
Norman Wilken et al.
CATALYSIS TODAY (2010)
Trends in NOx abatement: A review
Kinga Skalska et al.
SCIENCE OF THE TOTAL ENVIRONMENT (2010)
The State of the Art in Selective Catalytic Reduction of NOxby Ammonia Using Metal‐Exchanged Zeolite Catalysts
Sandro Brandenberger et al.
CATALYSIS REVIEWS-SCIENCE AND ENGINEERING (2008)
Theoretical Investigation of the Mechanism of the Selective Catalytic Reduction of Nitric Oxide with Ammonia on H-Form Zeolites
Till C. Brueggemann et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
New insight into selective catalytic reduction of nitrogen oxides by ammonia over H-form zeolites: a theoretical study
Jun Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
A quantum chemical study of nitric oxide reduction by ammonia (SCR reaction) on V2O5 catalyst surface
Sezen Soyer et al.
CATALYSIS TODAY (2006)
The GAMESS-UK electronic structure package: algorithms, developments and applications
MF Guest et al.
MOLECULAR PHYSICS (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Development and assessment of a new hybrid density functional model for thermochemical kinetics
Y Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
A hybrid MP2/planewave-DFT scheme for large chemical systems: proton jumps in zeolites
C Tuma et al.
CHEMICAL PHYSICS LETTERS (2004)
Molecular origins of selectivity in the reduction of NOx by NH3
D Sun et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
The General Utility Lattice Program (GULP)
JD Gale et al.
MOLECULAR SIMULATION (2003)
DL_POLY: Application to molecular simulation
W Smith et al.
MOLECULAR SIMULATION (2002)
Hybrid exchange-correlation functional determined from thermochemical data and ab initio potentials
PJ Wilson et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Density functional theory calculations of the oxidative dehydrogenation of propane on the (010) surface of V2O5
F Gilardoni et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)