Related references
Note: Only part of the references are listed.Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. II. Electronic structure and photoluminescence spectra
Florian Goeltl et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. I. Structure and energetics
Florian Goeltl et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
On the nature of spin- and orbital-resolved Cu+-NO charge transfer in the gas phase and at Cu(I) sites in zeolites
P. Kozyra et al.
STRUCTURAL CHEMISTRY (2012)
Mono- and Dinitrosyls on Copper(I) Site in a Zeolite Model: Effects of Static Correlation
Mariusz Radon et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Copper Corroles: the Question of Noninnocence
Kristine Pierloot et al.
INORGANIC CHEMISTRY (2010)
Electronic Structure of Selected {FeNO}7 Complexes in Heme and Non-Heme Architectures: A Density Functional and Multireference ab Initio Study
Mariusz Radon et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
New Insights into Charge Flow Processes and Their Impact on the Activation of Ethene and Ethyne by Cu(I) and Ag(I) Sites in MFI
E. Broclawik et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration
Ashley M. Wright et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Electronic view on ethene adsorption in Cu(I) exchanged zeolites
Pawel Rejmak et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
A Combined Charge and Energy Decomposition Scheme for Bond Analysis
Mariusz P. Mitoraj et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
From Electron Density Flow Towards Activation: Benzene Interacting with Cu(I) and Ag(I) Sites in ZSM-5. DFT Modeling
P. Kozyra et al.
CATALYSIS LETTERS (2008)
Donor-acceptor properties of ligands from the natural orbitals for chemical valence
Mariusz Mitoraj et al.
ORGANOMETALLICS (2007)
Natural orbitals for chemical valence as descriptors of chemical bonding in transition metal complexes
Mariusz Mitoraj et al.
JOURNAL OF MOLECULAR MODELING (2007)
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)
Reactions of laser-ablated Fe, Co, and Ni with NO:: Infrared spectra and density functional calculations of MNO+ and M(NO)x (M = Fe, Co, x=1-3; M = Ni, x=1, 2), and M(NO)x- (M = Co, Ni; x=1, 2)
MF Zhou et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Reactions of laser-ablated Cu with NO:: Infrared spectra and density functional calculations of CuNO+, CuNO, Cu(NO)2, and Cu(NO)2- in solid neon and argon
MF Zhou et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
The interaction of CO, N-2 and NO with Cu cations in ZSM-5: quantum chemical description and IR study
E Broclawik et al.
TOPICS IN CATALYSIS (2000)
Share Paper
