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PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 2015, Volume 17, Issue 29, pp. 18961 - 18970
The effects of doping bare silicon clusters with carbon on their physical properties are of fundamental interest for the chemistry of the interstellar medium... 
AR | SILICON-CARBON CLUSTERS | STABILITY | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | CHEMISTRY, PHYSICAL | TRANSFORM INFRARED OBSERVATION | 1ST PRINCIPLES | ELECTRONIC STATES | PHOTOELECTRON-SPECTROSCOPY | SIC(N) CHAINS
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 2015, Volume 17, Issue 29, pp. 18961 - 18970
The effects of doping bare silicon clusters with carbon on their physical properties are of fundamental interest for the chemistry of the interstellar medium... 
AR | SILICON-CARBON CLUSTERS | STABILITY | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | CHEMISTRY, PHYSICAL | TRANSFORM INFRARED OBSERVATION | 1ST PRINCIPLES | ELECTRONIC STATES | PHOTOELECTRON-SPECTROSCOPY | SIC(N) CHAINS
Journal Article
International Journal of Modern Physics B, ISSN 0217-9792, 07/2019, Volume 33, Issue 19, p. 1950205
By combining the density functional theory (DFT) with the nonequilibrium Green’s function, we studied the transmission properties of Si2C2 clusters (the linear... 
PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | STABILITY | LASER | ENERGETICS | equilibrium conductance | I-V curves | rectification effect | VIBRATIONAL-SPECTRA | PHYSICS, MATHEMATICAL | 1ST PRINCIPLES | negative differential resistance | SILICON-CARBON CLUSTERS | Nanotechnology | CARBIDE CLUSTERS | PHOTOELECTRON-SPECTROSCOPY | ELECTRONIC STATES
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 04/2013, Volume 113, Issue 7, pp. 949 - 958
Journal Article
The Journal of Physical Chemistry Letters, ISSN 1948-7185, 2015, Volume 6, Issue 11, pp. 2107 - 2111
The rotational spectrum of the elusive but fundamentally important silicon carbide SiCSi has been detected using sensitive microwave techniques aided by... 
Quantum-Chemical Calculations | Chemical Bonding | Molecular Structure | Rotational Spectroscopy | SI2C | SIC2 | SPECTROSCOPY | SILICON-CARBON CLUSTERS | MATERIALS SCIENCE, MULTIDISCIPLINARY | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | SPECTRUM | ELECTRONIC STATES | MOLECULES
Journal Article
by Hou, J and Song, B
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 04/2008, Volume 128, Issue 15, p. 154304
Density- functional theory with generalized gradient approximation for the exchange-correlation potential has been used to calculate the structural and... 
FREQUENCIES | MOLECULAR-DYNAMICS | SILICON-CARBON CLUSTERS | STABILITY | LASER | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ENERGETICS | CHEMISTRY, PHYSICAL | 1ST PRINCIPLES | CARBIDE CLUSTERS | PHOTOELECTRON-SPECTROSCOPY
Journal Article
Journal of Physics: Condensed Matter, ISSN 0953-8984, 08/2006, Volume 18, Issue 31, pp. 7085 - 7102
An ab initio study of the stability, structural, electronic, vibrational and optical properties of the most stable silicon-carbon binary nanoclusters SimCn(m+n... 
LINEAR SI2C3 | ELECTRONIC-STRUCTURES | PHYSICS, CONDENSED MATTER | INFRARED-SPECTRUM | SILICON-CARBON CLUSTERS | RHOMBOIDAL SIC3 | MIXED CLUSTERS | VIBRATIONAL-SPECTRA | CARBIDE CLUSTERS | PHOTOELECTRON-SPECTROSCOPY
Journal Article
Journal of Molecular Spectroscopy, ISSN 0022-2852, 11/2011, Volume 270, Issue 1, pp. 75 - 78
Close inspection of the ν fundamental vibrational mode of Si C observed recently (Krieg et al., Rev. Sci. Instrum. 82 (2011) 063105) reveals the presence of... 
Infrared spectroscopy | Silicon-carbon clusters | Coupled-cluster calculations | Hot band
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2009, Volume 131, Issue 22, pp. 224310 - 224310-11
It is illustrated here by ab initio calculations based on density functional theory and other high level methods that the high stability of the icosahedral Sn... 
ADJUSTED PSEUDOPOTENTIALS | ionisation | CRYSTAL-STRUCTURE | AB-INITIO | MAIN-GROUP | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | atomic clusters | TRANSITION-ELEMENTS | ab initio calculations | negative ions | charge exchange | SUPERSONIC MOLECULAR-BEAM | SILICON-CARBON CLUSTERS | ZETA VALENCE QUALITY | density functional theory | tin | CHEMISTRY | BASIS-SETS
Journal Article
中国科学通报:英文版, ISSN 1001-6538, 2005, Volume 50, Issue 9, pp. 845 - 852
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 2011, Volume 963, Issue 2-3, pp. 439 - 447
The carbon-rich structures of C Si (n = 1-5) clusters were studied by first-principles density functional calculations using the B3LYP hybrid... 
Carbon-rich clusters | Silicon-carbon clusters | ANIONS | SINCM | STABILITY | SILICON CLUSTERS | C9Sin(n=1-5) | CHEMISTRY, PHYSICAL | ELECTRON-AFFINITIES | IDENTIFICATION | SPECTRA | PHOTOELECTRON-SPECTROSCOPY
Journal Article
JOURNAL OF APPLIED PHYSICS, ISSN 0021-8979, 03/2010, Volume 107, Issue 5, p. 53512
The full potential augmented plane wave plus local orbital method using the local density approximation within the framework of density functional theory is... 
PHYSICS, APPLIED | MOLECULAR-BEAM-EPITAXY | HETEROSTRUCTURES | SEMICONDUCTORS | GROWTH | ENERGY-GAP | VEGARDS LAW | BAND-STRUCTURE | METASTABLE GE1-XSNX ALLOYS | SILICON-CARBON ALLOYS | GAAS
Journal Article
by Song, B and Yong, Y and Hou, J and He, P
EUROPEAN PHYSICAL JOURNAL D, ISSN 1434-6060, 09/2010, Volume 59, Issue 3, pp. 399 - 406
Density-functional theory with generalized gradient approximation for the exchange-correlation potential has been used to calculate the structural and... 
MOLECULAR-DYNAMICS | SILICON-CARBON CLUSTERS | LASER | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ENERGETICS | OPTICS | VIBRATIONAL-SPECTRA | IDENTIFICATION | 1ST PRINCIPLES | CARBIDE CLUSTERS | PHOTOELECTRON-SPECTROSCOPY
Journal Article
International Journal of Mass Spectrometry, ISSN 1387-3806, 04/2007, Volume 262, Issue 1-2, pp. 136 - 143
Making use of the software of molecular graphics, we designed many patterns of C S (n = 6-18) models. We carried out geometry optimization and calculation on... 
Sulfur-doped clusters | Density functional study | Binary cluster | Dianions | C3S | density functional study | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | IONS | IRC+10216 | CnS2 | sulfur-doped clusters | LASER MASS-SPECTRA | GAS-PHASE DIANIONS | DENSITY | binary cluster | dianions | SPECTROSCOPY | SULFUR CARBIDE CLUSTERS | SILICON-CARBON CLUSTERS | ENERGIES | BEC(N)(2-)
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 07/2010, Volume 114, Issue 26, pp. 7102 - 7109
Journal Article
05/2016, ISBN 0128035684
In this chapter, experimental procedures in organosilicon synthesis are described, including, 1) silicon-carbon bond formation (nucleophilic substitution of... 
Octasilacuneane | Organosilicon synthesis | Bicyclo[4.1.0]heptasil-1-ene | Organosilicon cluster | Functional group transformation | Silicon-carbon bond formation | Silicon-silicon bond formation | Hexasilabenzvalene
Book Chapter
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