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Synergy between theory and experiment in structure resolution of low-dimensional oxides
M Sierka - Progress in Surface Science, 2010 - Elsevier
In this paper, I review recent progress in joint theoretical and experimental studies aiming at
atomic structure determination of low-dimensional metal oxides. Low-dimensional systems …
atomic structure determination of low-dimensional metal oxides. Low-dimensional systems …
Structure characterization of metal oxide clusters by vibrational spectroscopy: possibilities and prospects
KR Asmis - Physical Chemistry Chemical Physics, 2012 - pubs.rsc.org
This article summarizes the methodological progress that has been made in the vibrational
spectroscopy of isolated polynuclear metal oxide clusters, with particular emphasis on free …
spectroscopy of isolated polynuclear metal oxide clusters, with particular emphasis on free …
Molecular and electronic structures, Brönsted basicities, and Lewis acidities of group VIB transition metal oxide clusters
S Li, DA Dixon - The Journal of Physical Chemistry A, 2006 - ACS Publications
The structures and properties of transition metal oxide (TMO) clusters of the group VIB
metals,(MO3) n (M= Cr, Mo, W; n= 1− 6), have been studied with density functional theory …
metals,(MO3) n (M= Cr, Mo, W; n= 1− 6), have been studied with density functional theory …
Influence of surface and intermolecular interactions on the properties of supported polyoxometalates
Polyoxometalates (POMs) with localized radical or open-shell metal sites have the potential
to be used as transformative electronic spin based molecular qubits (MQs) for quantum …
to be used as transformative electronic spin based molecular qubits (MQs) for quantum …
Density-functional global optimization of (La2O3) n clusters
Structures of stoichiometric (La 2 O 3) n (n= 1–6) clusters have been systematically studied
by theoretical calculations. Global minimum structures for these clusters are determined by …
by theoretical calculations. Global minimum structures for these clusters are determined by …
Phase transitions in soft matter induced by selective solvation
We review our recent studies on selective solvation effects in phase separation in polar
binary mixtures with a small amount of solutes. Such hydrophilic or hydrophobic particles …
binary mixtures with a small amount of solutes. Such hydrophilic or hydrophobic particles …
Probing the electronic structure of early transition metal oxide clusters: Molecular models towards mechanistic insights into oxide surfaces and catalysis
Selected recent works from the authors' laboratory on the intrinsic electronic and structural
properties of early transition metal oxide clusters are reviewed. These clusters provide well …
properties of early transition metal oxide clusters are reviewed. These clusters provide well …
On the Structure and Chemical Bonding of Tri-Tungsten Oxide Clusters W3On- and W3On (n = 7−10): W3O8 As A Potential Molecular Model for O …
Electronic and structural properties of a series of tri-tungsten oxide clusters, W3O n-and
W3O n (n= 7− 10), are investigated using photoelectron spectroscopy and density functional …
W3O n (n= 7− 10), are investigated using photoelectron spectroscopy and density functional …
Photoelectron spectroscopy of anions at 118.2 nm: observation of high electron binding energies in superhalogens MCl4−(M= Sc, Y, La)
High energy photon is needed for photoelectron spectroscopy (PES) of anions with high
electron binding energies, such as superhalogens and O-rich metal oxide clusters. The …
electron binding energies, such as superhalogens and O-rich metal oxide clusters. The …
Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3– (X = F, Cl, Br, I): Competition between Coulomb Repulsion and …
While uranyl halide complexes [UO2 (halogen) n] 2–n (n= 1, 2, 4) are ubiquitous, the
tricoordinate species have been relatively unknown until very recently. Here photoelectron …
tricoordinate species have been relatively unknown until very recently. Here photoelectron …