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Chemistry – A European Journal, ISSN 0947-6539, 09/2018, Volume 24, Issue 54, pp. 14352 - 14357
A templated galvanic exchange performed on [Ag20{Se2P(OiPr)2}12] of C3 symmetry with three equiv AuI yields a mixture of [Au1+xAg20−x{Se2P(OiPr)2}12]+ (x=0–2)... 
gold | galvanic replacement | silver | superatom | substitutional doping | CRYSTAL-STRUCTURE | CHEMISTRY, MULTIDISCIPLINARY | STRUCTURE ELUCIDATION | NANOCLUSTERS | NANOPARTICLES | QUANTUM YIELD | SURFACE | PROTECTED GOLD CLUSTERS | Silver | Analysis | Well construction | Capping | Spatial discrimination | Dopants | Crystal structure | Icosahedrons | Icosahedral phase | Symmetry | Inorganic chemistry | Chemical Sciences
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 10/2018, Volume 57, Issue 44, pp. 14630 - 14634
The paramagnetic cluster [Cu43Al12](Cp*)12 was obtained from the reaction of [CuMes]5 and [AlCp*]4 (Cp*=η5‐C5Me5; Mes=mesityl). This all‐hydrocarbon... 
copper | aluminum | superatoms | clusters | Magnetism | Conduction bands | Conduction | Electronic structure | Clusters | Ligands | Jellium | Icosahedral phase | Chemical Sciences | Coordination chemistry
Journal Article
Acta Materialia, ISSN 1359-6454, 2006, Volume 54, Issue 16, pp. 4317 - 4336
Journal Article
Journal of Physical Chemistry B, ISSN 1089-5647, 09/2002, Volume 106, Issue 37, pp. 9649 - 9654
Density functional calculations for copper clusters Cu and their monocarbonyls CunCO (n less than or equal to 13) have been performed using the relativistic... 
ELECTRONIC-PROPERTIES | FLUORESCENCE | DISSOCIATION | TRANSITION-METAL | ICOSAHEDRAL CAGES | CHEMISTRY, PHYSICAL | POTENTIALS | CU-N | ENERGIES | PHOTOELECTRON-SPECTROSCOPY | Chemical bonds | Copper compounds | Research
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 08/2012, Volume 51, Issue 16, pp. 8882 - 8889
Bergman-type phases in the Na–Au–T (T = Ga, Ge, and Sn) systems were synthesized by solid-state means and structurally characterized by single-crystal X-ray... 
ICOSAHEDRAL QUASI-CRYSTAL | INTERMETALLIC COMPOUND | BUILDING-BLOCKS | GAS-PHASE | X-RAY | DIFFRACTION | AU-20 | APPROXIMANT | GALLIUM | CHEMISTRY, INORGANIC & NUCLEAR | Usage | Diffraction | X-rays | Chemical properties | Electron transport | Structure | Gallium compounds | Methods | Sodium compounds | MATERIALS SCIENCE
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 05/2019, Volume 119, Issue 9, p. n/a
We perform ab initio calculations to investigate Ni13 clusters reaction under an oxygen atmosphere. We dynamically evaluate the effect on structural,... 
density functional theory (DFT) | ab initio calculations | nanoparticles | oxygen chemisorption | electronic structure | Density functionals | Oxidation-reduction reaction | Magnetization | Specific gravity | Magnetic properties
Journal Article
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2018, Volume 20, Issue 33, pp. 21573 - 21579
We report an experimental study of water clusters as guests in interactions with clusters of adamantane (Ad) as hosts that occur in doped helium droplets at... 
Organic chemistry | Moisture content | Dopants | Clusters | Droplets | Gas hydrates | Helium | Heat conductivity | Icosahedral phase
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2016, Volume 18, Issue 30, pp. 20321 - 20329
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 11/2017, Volume 147, Issue 18, p. 184305
We present the cryogenic (26 K) IR spectra of selected [Nin(N2)m]+ (n = 5–20, m = 1 − mmax), which strongly reveal n- and m-dependent features in the N2... 
Infrared spectroscopy | Adsorption | Spectrum analysis | Morphology | Surface chemistry | Clusters | Density functional theory | Nickel | Icosahedrons | Icosahedral phase
Journal Article
Chinese Journal of Chemistry, ISSN 1001-604X, 12/2018, Volume 36, Issue 12, pp. 1165 - 1168
A new complex comprising [Co@Ge12]3– cluster core was synthesized through the reaction of CoMe(PMe3)4 and K4Ge9 in ethylenediamine solution. The pseudo‐D5d... 
Sandwich complex | intermetalloid cluster | Zintl ions | icosahedron | Analysis | Ethylenediamines
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 12/2018, Volume 57, Issue 51, pp. 16768 - 16772
We report the observation of dimerization of two 8‐electron superatom cluster units in the crystallographic structures of Au2Ag42(SAdm)27(BPh4) and... 
gold | silver | superatoms | cluster chemistry | NANOCLUSTERS | NANOPARTICLES | ELECTRON | CRYSTAL-STRUCTURE | SODIUM CLUSTERS | CHEMISTRY, MULTIDISCIPLINARY | ATOM | Density functionals | Silver | Analysis | Metals | Clusters | Density functional theory | Dimers | Crystallography | Dimerization | Crystal structure | Electrons | Icosahedrons | Icosahedral phase
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 1/2019, Volume 138, Issue 1, pp. 1 - 14
Methodical exploration is performed on Rh n (n = 9–20) clusters in the gas phase with all electron relativistic methods using density functional theory (DFT)... 
O–H activation | Theoretical and Computational Chemistry | Chemistry | DFT | Stability | Rhodium | Physical Chemistry | Atomic/Molecular Structure and Spectra | Inorganic Chemistry | Ruthenium-doped cluster | Organic Chemistry | MECHANISM | CHEMISTRY, PHYSICAL | TIGHT-BINDING | CO OXIDATION | MOLECULES | TRANSITION | CARBON-MONOXIDE | KINETICS | NITRIC-OXIDE | O-H activation
Journal Article
Nanoscale, ISSN 2040-3364, 07/2016, Volume 8, Issue 25, pp. 12787 - 12792
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 10/2011, Volume 35, Issue 10, pp. 1955 - 1972
Robust three-dimensional structure, aromaticity, high chemical and thermal stability of polyhedral boron clusters make them promising candidates for use in... 
IRON-OXIDE NANOPARTICLES | P-CARBORANES | DRUG-DELIVERY | CONTAINING LIQUID-CRYSTALS | ICOSAHEDRAL CARBORANES | MESOGENIC PROPERTIES | COORDINATION POLYMERS | WALLED CARBON NANOTUBES | CHARGED AROMATIC DONORS | CHEMISTRY, MULTIDISCIPLINARY | NONLINEAR-OPTICAL MATERIALS
Journal Article
Journal of Raman Spectroscopy, ISSN 0377-0486, 01/2019, Volume 50, Issue 1, pp. 52 - 62
In this work, DFT studies devoted to the adsorption of anti‐cancer cisplatin drug and one cationic tri‐icosahedral Au37 cluster are addressed, which are aiming... 
Raman | DFT | anti‐cancer drugs | cisplatin | thiolated gold clusters | Au37 | anti-cancer drugs | Coupling (molecular) | Gold | Adsorption | Energy value | Phosphine | Skewed distributions | Clusters | Dimers | Cisplatin | Icosahedral phase | Cancer
Journal Article