Investigation of the valence electronic states of Ti(iv) in Ti silicalite-1 coupling X-ray emission spectroscopy and density functional calculations

Location of Si Vacancies and [Ti(OSi)4] and [Ti(OSi)3OH] Sites in the MFI Framework: A Large Cluster and Full Ab Initio Study

(2011) Shuping Yuan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ligand Identification in Titanium Complexes Using X-ray Valence-to-Core Emission Spectroscopy

(2010) Janine C. Swarbrick et al.   INORGANIC CHEMISTRY

Probing Valence Orbital Composition with Iron Kβ X-ray Emission Spectroscopy

(2010) Nicole Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

TS-1 from First Principles†

(2009) Aldo Gamba et al.   JOURNAL OF PHYSICAL CHEMISTRY A

X-ray Emission Spectroscopy To Study Ligand Valence Orbitals in Mn Coordination Complexes

(2009) Grigory Smolentsev et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

X-ray emission spectroscopy

(2009) Uwe Bergmann et al.   PHOTOSYNTHESIS RESEARCH

Bioinorganic Chemistry Modeled with the TPSSh Density Functional

(2008) Kasper P. Jensen   INORGANIC CHEMISTRY

Cr local environment by valence-to-core X-ray emission spectroscopy

(2008) Sigrid G. Eeckhout et al.   JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY

Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory†

(2008) Serena DeBeer George et al.   JOURNAL OF PHYSICAL CHEMISTRY A