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Journal of Chemical Physics, ISSN 0021-9606, 05/2004, Volume 120, Issue 19, pp. 8985 - 8995
Ab initio all-electron molecular-orbital calculations are carried out to study the structures and relative stability of low-energy silicon clusters... 
POLARIZABILITIES | GEOMETRIES | SPECTROSCOPY | INTERMEDIATE-SIZE | SMALL SI CLUSTERS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | REACTIVITY | IONS | VIBRATIONAL-SPECTRA | IONIZATION
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 1998, Volume 109, Issue 21, pp. 9401 - 9409
We have performed a systematic ground state geometry search for the singly charged Si-n cations in the medium-size range (n less than or equal to 20) using... 
LANGEVIN MOLECULAR-DYNAMICS | EQUILIBRIUM STRUCTURES | ELECTRONIC-STRUCTURES | ION MOBILITY MEASUREMENTS | SMALL SEMICONDUCTOR CLUSTERS | INTERATOMIC FORCE-FIELDS | SMALL SI CLUSTERS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TIGHT-BINDING | VIBRATIONAL-SPECTRA | PHOTOELECTRON-SPECTROSCOPY
Journal Article
by Yoo, S and Zeng, X.C
Journal of Chemical Physics, ISSN 0021-9606, 07/2003, Volume 119, Issue 3, pp. 1442 - 1450
The "basic-hopping" global optimization technique developed by Wales and Doye is employed to study the global minima of silicon clusters Si-n(3less than or... 
EQUILIBRIUM STRUCTURES | N CLUSTERS | MICROCLUSTERS | MOLECULAR-DYNAMICS | SMALL SI CLUSTERS | STABILITIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | IONS | STRUCTURAL-PROPERTIES | SPECTRA
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 07/2004, Volume 25, Issue 10, pp. 1255 - 1263
Journal Article
Journal of Physics: Condensed Matter, ISSN 0953-8984, 01/2008, Volume 20, Issue 4, pp. 045226 - 045226 (14)
The effect of hydrogen addition to silicon clusters Si-n (n = 11-15) is examined in terms of the change in their ground state geometry, bonding characteristics... 
POROUS SILICON | NANOPARTICLES | PHYSICS, CONDENSED MATTER | SMALL SI CLUSTERS | PLASMA REACTOR | GROWTH | OPTICAL-PROPERTIES | GAS-PHASE | SILANE | VIBRATIONAL-SPECTRA | ELECTRONIC STATES
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 1997, Volume 56, Issue 6, pp. 4890 - 4898
We have identified low-energy structures of silicon clusters with 9 to 14 atoms using a nonorthogonal tight-binding method (TB) based on density-functional... 
EQUILIBRIUM STRUCTURES | MICROCLUSTERS | APPROXIMATION | SMALL SI CLUSTERS | CONSTRUCTION | SEMICONDUCTOR CLUSTERS | IONS | K UI PHYSICS | TIGHT-BINDING | PHYSICS | MOLECULAR-DYNAMICS SIMULATIONS | DENSITY-FUNCTIONAL THEORY
Journal Article
NATURE COMMUNICATIONS, ISSN 2041-1723, 04/2013, Volume 4
Clusters containing only a handful of atoms have been the subject of extensive theoretical and experimental studies, but their direct imaging has not been... 
SMALL SILICON CLUSTERS | ELECTRON-BEAM | STABILITY | MULTIDISCIPLINARY SCIENCES | VACANCIES | ATOMS | NANOPORES | MICROSCOPY | SPECTRA | CARBON NANOTUBES
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY C, ISSN 1932-7447, 05/2015, Volume 119, Issue 20, pp. 10987 - 10994
Vanadium-doped silicon cluster anions, V3Sin- (n = 3-14), have been generated by laser vaporization and investigated by anion photoelectron spectroscopy. The... 
NANOCLUSTERS | SMALL SILICON CLUSTERS | MATERIALS SCIENCE, MULTIDISCIPLINARY | STABILITIES | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | GEOMETRY OPTIMIZATION | MAGNETIC-PROPERTIES | MOLECULAR-ORBITAL CALCULATIONS | PHOTOELECTRON-SPECTROSCOPY | GENETIC ALGORITHM
Journal Article
Reviews of Modern Physics, ISSN 0034-6861, 01/2005, Volume 77, Issue 1, pp. 371 - 423
Journal Article
PHYSICAL REVIEW B, ISSN 1098-0121, 01/2001, Volume 63, Issue 4
Orthogonal tight-binding molecular-dynamics methods are employed for describing small silicon clusters. Results obtained from the calculations of two different... 
POLARIZABILITIES | PHYSICS, CONDENSED MATTER | GERMANIUM | APPROXIMATION | SMALL SEMICONDUCTOR CLUSTERS | SIZE | SURFACE | INTERATOMIC POTENTIALS | MODEL | ENERGIES | SPECTROMETRY
Journal Article
PHYSICAL REVIEW B, ISSN 1098-0121, 10/1999, Volume 60, Issue 15, pp. 10703 - 10706
Si-6 and Si-7 are the two largest clusters with confirmed geometries experimentally. The apex atoms in the pentagonal bipyramidal structure for Si-7 have a... 
ELECTRONIC-STRUCTURES | SI CLUSTERS | PHYSICS, CONDENSED MATTER | SMALL SEMICONDUCTOR CLUSTERS | EQUILIBRIUM GEOMETRIES | MAGIC NUMBERS | TIGHT-BINDING | STRUCTURAL-PROPERTIES | SI-12 CLUSTER | BINDING MOLECULAR-DYNAMICS | SURFACES
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 04/2005, Volume 127, Issue 14, pp. 4998 - 4999
Metal-encapsulated silicon cage clusters are a new class of clusters and are opening up new avenues for silicon-based nanoscale materials. We present... 
SMALL SILICON CLUSTERS | ELECTRONIC-STRUCTURES | CAGE | SUPERSONIC MOLECULAR-BEAM | C-60 | CHEMISTRY, MULTIDISCIPLINARY | PHOTOELECTRON-SPECTROSCOPY
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 03/2016, Volume 144, Issue 11, p. 114309
The structure of closo-Si12C12 is unique among stable SinCm isomers (n, m > 4) because of its high symmetry, π–π stacking of C6 rings and unsaturated silicon... 
DENSITY | CHEMISTRY, PHYSICAL | SMALL SILICON CLUSTERS | ELECTRON-AFFINITIES | EXCHANGE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Stacking | Polymerization | Silicon | Isomers | Dimerization | Monomers | Crystal structure
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2009, Volume 131, Issue 11, p. 114312
The geometries, stabilities, and electronic and magnetic properties of europium encapsulated EuSin (n=1-13) clusters have been investigated systematically by... 
ANIONS | SMALL SILICON CLUSTERS | SI CLUSTERS | AB-INITIO | STABILITIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ASSEMBLED MATERIALS | ENERGETICS | CHEMISTRY, PHYSICAL | OPTIMIZATION | METAL-CLUSTERS | AFFINITIES
Journal Article
by Qin, W and Lu, WC and Zhao, LZ and Zang, QJ and Wang, CZ and Ho, KM
JOURNAL OF PHYSICS-CONDENSED MATTER, ISSN 0953-8984, 11/2009, Volume 21, Issue 45
The structures of Si-n (n = 2-33) were confirmed by genetic algorithm (GA)/tight binding (TB) search and ab initio calculations at the B3LYP/6-311++G(2d) and... 
TRANSITION | SMALL SILICON CLUSTERS | PHYSICS, CONDENSED MATTER | GERMANIUM CLUSTERS | ION MOBILITY MEASUREMENTS | IONIZATION-POTENTIALS | SIMPLE METAL-CLUSTERS | SEMICONDUCTOR CLUSTERS | GROWTH-PATTERNS | MOLECULAR-ORBITAL CALCULATIONS
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 08/2012, Volume 545, pp. 95 - 99
The two-photon absorption (TPA) properties of the Sin (n = 3-10) clusters were investigated by using the density functional response approach. The TPA... 
NANOCLUSTERS | SMALL SILICON CLUSTERS | POROUS SILICON | POLARIZABILITIES | RESPONSE FUNCTIONS | CROSS-SECTIONS | NONLINEAR-OPTICAL PROPERTIES | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SEMICONDUCTOR CLUSTERS | DENSITY-FUNCTIONAL THEORY
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 08/2001, Volume 115, Issue 5, pp. 2165 - 2177
Journal Article
2019, ISBN 3038976385
The chemistry of silicon has always been a field of major concern due to its proximity to carbon on the periodic table. From the molecular chemist's viewpoint,... 
N-heterocyclic carbene | cluster | molecular orbital analysis | bond activation | X-ray diffraction | silsesquioxanes | digermacyclobutadiene | intermetallic bond | germanium | computational chemistry | isocyanide | X-ray crystallography | cyclic organopolysilane | disilene | chloro-?-hydrooligosilane | electron systems | ruthenium | platinum | DFT | Photostability | silicon surfaces | stereochemistry | palladium | distorted coordination | organosilicon | disilanylene polymer | N-heterocyclic carbenes | N-heterocyclic carbines | adsorption | AIM | siliconoid | nanoparticle | disiloxane tetrols | germylene | hydrogen bonding | dehydrogenative alkoxylation | siloxanes | 2-silylpyrrolidines | 29Si NMR spectroscopy | bonding analysis | hydrido complex | oxidative addition | photoreaction | TiO2 | template | surface modification | titanium | bromosilylenes | host-guest chemistry | hydrogen bonds | salt-free | silicon cluster | N-Heterocyclic tetrylene | condensation | silyliumylidenes | Baird’s rule | reductant | main group coordination chemistry | molecular cage | subvalent compounds | isomerization | silanetriols | germathioacid chloride | dehydrobromination | mechanistic insights | ligand-exchange reaction | bridging silylene ligand | dye-sensitized solar cell | silylene | computation | Cl activation | functionalization | silicon | digermene | density functional theory | primary silane | small molecule activation | excited state aromaticity | germanethione | supramolecular chemistry
eBook
by Guo, LJ and Liu, X and Zhao, GF and Luo, YH
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 06/2007, Volume 126, Issue 23, p. 234704
The geometries, stabilities, and electronic properties of TiSin (n=2-15) clusters with different spin configurations have been systematically investigated by... 
SMALL SILICON CLUSTERS | ELECTRONIC-STRUCTURES | SI CLUSTERS | GEOMETRIES | SUPERSONIC MOLECULAR-BEAM | N=1-6 CLUSTERS | AB-INITIO | CAGED CLUSTERS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | METAL ATOM | CHEMISTRY, PHYSICAL | OPTIMIZATION
Journal Article