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 …

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 …

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 …

Influence of surface and intermolecular interactions on the properties of supported polyoxometalates

OM Primera-Pedrozo, S Tan, D Zhang, BT O'Callahan… - Nanoscale, 2023 - pubs.rsc.org
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 …

Density-functional global optimization of (La2O3) n clusters

XL Ding, ZY Li, JH Meng, YX Zhao… - The Journal of Chemical …, 2012 - pubs.aip.org
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 …

Phase transitions in soft matter induced by selective solvation

A Onuki, R Okamoto, T Araki - Bulletin of the Chemical Society of …, 2011 - academic.oup.com
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 …

Probing the electronic structure of early transition metal oxide clusters: Molecular models towards mechanistic insights into oxide surfaces and catalysis

HJ Zhai, LS Wang - Chemical Physics Letters, 2010 - Elsevier
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 …

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 …

X Huang, HJ Zhai, J Li, LS Wang - The Journal of Physical …, 2006 - ACS Publications
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 …

Photoelectron spectroscopy of anions at 118.2 nm: observation of high electron binding energies in superhalogens MCl4−(M= Sc, Y, La)

J Yang, XB Wang, XP **ng, LS Wang - The Journal of chemical physics, 2008 - pubs.aip.org
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 …

Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3 (X = F, Cl, Br, I): Competition between Coulomb Repulsion and …

J Su, PD Dau, YH Qiu, HT Liu, CF Xu… - Inorganic …, 2013 - ACS Publications
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 …