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Chemistry – A European Journal, ISSN 0947-6539, 09/2016, Volume 22, Issue 39, pp. 13946 - 13952
The addition of Sn and Zn ions to [Ge9] clusters by reaction of [Ge9]4− with SnPh2Cl2, ZnCp*2 (Cp*=pentamethylcyclopentadienyl), or Zn2[HC(Ph2P=NPh)2]2 is... 
tin | germanium | metal–metal interactions | zinc | Zintl anions | Atoms & subatomic particles | Electrons | Orbitals | Molecular structure | Metals | Fragments | Ions | Zinc | Fragmentation | Covalence | Bridging | Bonding strength | Clusters | Chemical bonds | Atomic structure | Symmetry
Journal Article
2007, Cambridge molecular science, ISBN 0521852366, Volume 9780521852364, xi, 378
Clusters can be viewed as solids at the nano-scale, yet molecular cluster chemistry and solid state chemistry have traditionally been considered as separate... 
Nanochemistry | Solid state chemistry | Microclusters
Book
2010, ISBN 0521899834, Volume 9780521899833, xxi, 757
"For the first time, this book unites the theory, experimental techniques and computational tools used to describe the diffusion of atoms, molecules and... 
Surfaces | Diffusion | Surfaces (Physics) | Metals
Book
Angewandte Chemie International Edition, ISSN 1433-7851, 06/2016, Volume 55, Issue 23, pp. 6721 - 6724
The title anion was synthesized by heating dimethylformamide (DMF) solution of the known Ni‐centered and Ni(CO)‐capped tin clusters [Ni@Sn9Ni(CO)]3−. The new... 
tin | nickel | cluster compounds | Zintl anions | Mass spectrometry | Ions | Diffraction | Crystals | Capping | Dimethylformamide | Molecular clusters | X-ray diffraction | Prisms | Mass spectroscopy | Single crystals | Heating | Clusters | Tin | Nickel | Atomic structure | Elongation | Crystal structure
Journal Article
Book
The Journal of Physical Chemistry A, ISSN 1089-5639, 11/2018, Volume 122, Issue 43, pp. 8549 - 8556
Using computational methods, we study the gas phase hydration of three different atmospherically relevant organic acids with up to 10 water molecules. We study... 
NUCLEATION PRECURSORS | ALPHA-PINENE | OXALIC-ACID | AMMONIA | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | AUTOXIDATION PRODUCT C6H8O7 | CHEMISTRY, PHYSICAL | SULFURIC-ACID | AEROSOL NUCLEATION | CIS-PINIC ACID | PARTICLE FORMATION | OZONOLYSIS PRODUCTS
Journal Article
2012, 2nd ed., ISBN 1848167334, xvi, 475
Book
The Journal of Physical Chemistry A, ISSN 1089-5639, 12/2009, Volume 113, Issue 50, pp. 13845 - 13852
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 05/2013, Volume 113, Issue 10, pp. 1511 - 1521
Various properties (such as optimal structures, structural parameters, hydrogen bonds, natural bond orbital charge distributions, binding energies, electron... 
ethanol‐water clusters | hydrogen bonds | cooperative effects | ethanol-water clusters | TRIMERS | AB-INITIO | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BINDING-ENERGIES | HYDROGEN-BONDS | MIXTURES | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | ETHANOL | DENSITY-FUNCTIONAL THEORY | ETHYL ALCOHOL | VAN-DER-WAALS
Journal Article
Molecular Physics, ISSN 0026-8976, 11/2015, Volume 113, Issue 22, pp. 3598 - 3605
The geometric structures, stabilities, and electronic properties of small size anionic [Au n Rb] − and Au n +1 − (n = 1-10) clusters have been systematically... 
property | cluster | structure | density functional theory | CADMIUM SELENIDE CLUSTERS | GEOMETRIES | MOLECULAR CALCULATIONS | EFFECTIVE CORE POTENTIALS | POLARIZABILITY | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LASER-INDUCED FLUORESCENCE | CSAU | DENSITY-FUNCTIONAL THEORY | PHOTOELECTRON-SPECTROSCOPY | Gold | Metals | Spectrum analysis
Journal Article
Molecular Physics, ISSN 0026-8976, 02/2017, Volume 115, Issue 3, pp. 308 - 319
A systematic study of the X 2 Au n (X = La, Y, Sc; n = 1-9) clusters are performed by using the density functional theory at TPSS level. The structures,... 
Geometric structure | electronic property | magnetic property | density functional theory | CADMIUM SELENIDE CLUSTERS | GEOMETRIES | POLARIZABILITY | AB-INITIO | SIZE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | DIMERS | EVOLUTION | SPECTROSCOPY | SILVER CLUSTERS | DENSITY-FUNCTIONAL THEORY | Metals | Magnetism
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 08/2018, Volume 39, Issue 22, pp. 1738 - 1746
Since searching for the global minimum on the potential energy surface of a cluster is very difficult, many geometry optimization methods have been proposed,... 
geometrical perturbation | initial geometry | global optimization | growth sequence | LATTICE SEARCHING METHOD | ATOMIC CLUSTERS | CHEMISTRY, MULTIDISCIPLINARY | GENETIC ALGORITHM | LENNARD-JONES CLUSTERS | WATER CLUSTERS | MONTE-CARLO ALGORITHM | MOLECULAR CLUSTERS | LOWEST-ENERGY STRUCTURES | STRUCTURAL OPTIMIZATION | Seeds | Algorithms | Benzene | Methods | Force and energy
Journal Article