Metal–metal (MM) bond distances and bond orders in binuclear metal complexes of the first row transition metals titanium through zinc

RH Duncan Lyngdoh, HF Schaefer III… - Chemical reviews, 2018 - ACS Publications
This survey of metal–metal (MM) bond distances in binuclear complexes of the first row 3d-
block elements reviews experimental and computational research on a wide range of such …

Periodic properties of force constants of small transition-metal and lanthanide clusters

JR Lombardi, B Davis - Chemical reviews, 2002 - ACS Publications
Understanding the electronic, physical, and chemical properties of metal clusters, for use in
potential applications, is an issue attracting wide attention by large numbers of investigators …

[图书][B] Comprehensive handbook of chemical bond energies

YR Luo - 2007 - taylorfrancis.com
Understanding the energy it takes to build or break chemical bonds is essential for scientists
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …

Numerical atomic basis orbitals from H to Kr

T Ozaki, H Kino - Physical Review B, 2004 - APS
We present a systematic study for numerical atomic basis orbitals ranging from H to Kr,
which could be used in large scale O (N) electronic structure calculations based on density …

Clusters of transition-metal atoms

MD Morse - Chemical Reviews, 1986 - ACS Publications
In the past 10 years or so, a new type of chemical entity has come under both experimental
and theo-retical examination: clusters of transition-metal atoms, without benefit of stabilizing …

Molecular orbital theory of the properties of inorganic and organometallic compounds 5. Extended basis sets for first‐row transition metals

KD Dobbs, WJ Hehre - Journal of Computational Chemistry, 1987 - Wiley Online Library
A series of efficient split‐valence basis sets for first‐row transition metals, termed 3‐21G, has
been constructed based on previously‐formulated minimal expansions of Huzinaga, in …

Magnetic behavior of free-iron and iron oxide clusters

DM Cox, DJ Trevor, RL Whetten, EA Rohlfing, A Kaldor - Physical Review B, 1985 - APS
We report the first measurement of the magnetic properties of isolated iron-atom clusters
ranging in size from 2 to 17 atoms as well as the magnetic behavior of the monoxides and …

Databases for transition element bonding: Metal− metal bond energies and bond lengths and their use to test hybrid, hybrid meta, and meta density functionals and …

NE Schultz, Y Zhao, DG Truhlar - The Journal of Physical …, 2005 - ACS Publications
We propose a data set of bond lengths for 8 selected transition metal dimers (Ag2, Cr2, Cu2,
CuAg, Mo2, Ni2, V2, and Zr2) and another data set containing their atomization energies …

Vanadium-doped small silicon clusters: Photoelectron spectroscopy and density-functional calculations

HG Xu, ZG Zhang, Y Feng, J Yuan, Y Zhao… - Chemical Physics …, 2010 - Elsevier
Vanadium-doped small silicon clusters, VSin-and V2Sin-(n= 3–6), have been studied by
anion photoelectron spectroscopy. The vertical detachment energies (VDEs) and adiabatic …

UV laser excited fluorescence spectroscopy of the jet‐cooled copper dimer

EA Rohlfing, JJ Valentini - The Journal of chemical physics, 1986 - pubs.aip.org
UV laser excited fluorescence spectra of the jet‐cooled copper dimer are reported. Cu2 is
produced via laser vaporization of the metal inside the throat of a pulsed, supersonic nozzle …