Relativistic effects in chemistry: more common than you thought
P Pyykkö - Annual review of physical chemistry, 2012 - annualreviews.org
Relativistic effects can strongly influence the chemical and physical properties of heavy
elements and their compounds. This influence has been noted in inorganic chemistry …
elements and their compounds. This influence has been noted in inorganic chemistry …
Theoretical chemistry of gold. III
P Pyykkö - Chemical Society Reviews, 2008 - pubs.rsc.org
Gold is an element whose unique properties are strongly influenced by relativistic effects. A
large body of appropriate calculations now exists and its main conclusions are summarized …
large body of appropriate calculations now exists and its main conclusions are summarized …
Theoretical chemistry of gold. II
P Pyykkö - Inorganica Chimica Acta, 2005 - Elsevier
Gold is an element whose unique properties are strongly influenced by relativistic effects. A
large body of appropriate calculations now exists and its main conclusions are summarized …
large body of appropriate calculations now exists and its main conclusions are summarized …
A systematic search for minimum structures of small gold clusters Aun (n= 2–20) and their electronic properties
B Assadollahzadeh, P Schwerdtfeger - The Journal of chemical …, 2009 - pubs.aip.org
A systematic search for global and energetically low-lying minimum structures of neutral
gold clusters Aun (n= 2–20) is performed within a seeded genetic algorithm technique using …
gold clusters Aun (n= 2–20) is performed within a seeded genetic algorithm technique using …
Structural study of gold clusters
L Xiao, B Tollberg, X Hu, L Wang - The Journal of chemical physics, 2006 - pubs.aip.org
Density functional theory (DFT) calculations were carried out to study gold clusters of up to
55 atoms. Between the linear and zigzag monoatomic Au nanowires, the zigzag nanowires …
55 atoms. Between the linear and zigzag monoatomic Au nanowires, the zigzag nanowires …
Relativistic effects on the chemical bonding properties of the heavier elements and their compounds
It is now well established that the relativistic effects strongly influence the properties of the
heavier elements, specially the heavier elements of d-and f-block and also the heavier main …
heavier elements, specially the heavier elements of d-and f-block and also the heavier main …
Interaction of amino acids with gold and silver clusters
AH Pakiari, Z Jamshidi - The Journal of Physical Chemistry A, 2007 - ACS Publications
Binding of gold and silver clusters with amino acids (glycine and cysteine) was studied using
density functional theory (DFT). Geometries of neutral, anionic, and cationic amino acids …
density functional theory (DFT). Geometries of neutral, anionic, and cationic amino acids …
Size dependence of the structures and energetic and electronic properties of gold clusters
XB Li, HY Wang, XD Yang, ZH Zhu… - The Journal of chemical …, 2007 - pubs.aip.org
The structures and stabilities of gold clusters with up to 14 atoms have been determined by
density-functional theory. The structure optimizations and frequency analysis are performed …
density-functional theory. The structure optimizations and frequency analysis are performed …
Static polarizabilities and optical absorption spectra of gold clusters (, and 20) from first principles
Static polarizabilities and optical absorption spectra for the ground state structures of gold
clusters (Au n, n= 2–14 and 20) are investigated from first principles within static and time …
clusters (Au n, n= 2–14 and 20) are investigated from first principles within static and time …
Structures and relative stability of neutral gold clusters: Aun (n= 15–19)
We performed a global-minimum search for low-lying neutral clusters (Au n) in the size
range of n= 15–19 by means of basin-hopping method coupled with density functional …
range of n= 15–19 by means of basin-hopping method coupled with density functional …