• Bulletin of the Korean Chemical Society
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• v.32 no.6
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• pp.1980-1984
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• 2011

A temperature- and coverage-dependant quasi-reversible change in two-photon photoemission (2PPE) of chemisorbed 1-phenyl-1-propyne (PP) on Cu(111) is reported. For PP on Cu(111) at 300 K probed at a photon energy of 4.13 eV, two broad peaks of comparable intensity show final state energies of 7.25 and 7.75 eV above the Fermi level. The former peak could be assigned to the first image potential state (IS, n = 1) and/or unoccupied molecular orbital (UMO), located at 3.1 eV above the Fermi level. The latter is plausibly attributed to a mix of unoccupied higher-order IS (and/or UMO) and occupied surface state (SS) of Cu(111). With decreasing the temperature, the former 2PPE peak shows a shift in position by about 0.2 eV, and the latter exhibits a dramatic increase in intensity. In the system, intermolecular interactions (and/or order-disorder transition) of PP and substrate lattice temperature may play a significant role in change in photoexcitation lifetime (or excitation cross-section), and the unoccupied molecular orbital (UMO)-metal (IS) charge transfer coupling. Our unique 2PPE results provide a deeper insight for understanding photoexcitation charge transfer with temperature in an organic molecule/metal system.

• The Bulletin of The Korean Astronomical Society
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• v.39 no.2
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• pp.74.1-74.1
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• 2014

We study a wraping instability of a geometrically thin, non-self-gravitating disk surrounding binary supermassive black holes on a circular orbit. Such a circumbinay disk is subject to not only tidal torques due Line 8 to the binary gravitational potential but also radiative rorques due to radiation emitted from each accretion disk. We find tat a circumbinary disk initially aligned with the binary orbital plane is unstable to radiation-driven warping beyond the marginally stable warping radius, which is sensitive to both the ratio of vertical to horizontal shear viscosities and the mass-to-energy conversion efficiency. As expected, the tidal torques give no contribution to the growth of warping modes but tend to align the circumbinary disk with the orbital plane. Since the tidal torques can suppress the warping modes in the inner part of circumbinary disk, the circumbinaary disk starts to be warped at the radii larger than the marginally stable warping radius. If the warping radius is of the order of 0.1 pc, a resultant semi-major axis is estimated to be of the order of 10-2 pc to 10-4 pc for 107 Msun black hole. We also discuss the posibility that the central objects of observed warped maser disks in active galactic nuclei are binary supermassive black holes with a triple disk: two accretion disks around the individual black holes and one circumbinary disk surrounding them.

• Korean Journal of Materials Research
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• v.17 no.5
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• pp.250-255
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• 2007

The alloying effects on the electronic structures of Zinc are investigated using the relativistic $DV-X{\alpha}molecular$ orbital method in order to obtain useful information for alloy design. A new parameter which is the d obital energy level(Md) and the bonder order(Bo) of alloying elements in Zinc was introduced and used for prediction of the mechanical properties. The Md correlated with the atomic radius and the electronegativity of elements. The Bo is a measure of the strength of the covalent bond between M and X atoms. First-principles calculations of electronic structures were performed with a series of models composed of a MZn18 cluster and the electronic states were calculated by the discrete variational- $X{\alpha}method$ by using the program code SCAT. The central Zinc atom(M) in the cluster was replaced by various alloying elements. In this study energy level structures of pure Zinc and alloyed Zinc were calculated. From calculated results of energy level structures in MZn18 cluster, We found Md and Bo values for various elements of Zn. In this work, Md and Bo values correlated to the tensile strength for the Zn. These results will give some guide to design of zinc based alloys for high temperature applications and it is possible the excellent alloys design.

• Journal of Mechanical Science and Technology
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• v.17 no.12
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• pp.1922-1927
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• 2003

Nonlinear normal mode (NNM) vibration, in a nonlinear dual mass Hamiltonian system, which has 6$\^$th/ order homogeneous polynomial as a nonlinear term, is studied in this paper. The existence, bifurcation, and the orbital stability of periodic motions are to be studied in the phase space. In order to find the analytic expression of the invariant curves in the Poincare Map, which is a mapping of a phase trajectory onto 2 dimensional surface in 4 dimensional phase space, Whittaker's Adelphic Integral, instead of the direct integration of the equations of motion or the Birkhoff-Gustavson (B-G) canonical transformation, is derived for small value of energy. It is revealed that the integral of motion by Adelphic Integral is essentially consistent with the one obtained from the B-G transformation method. The resulting expression of the invariant curves can be used for analyzing the behavior of NNM vibration in the Poincare Map.

• Journal of the Korean Chemical Society
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• v.16 no.2
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• pp.64-69
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• 1972

Nucleophilic reactivities of 1-and 2-phenethyl chlorides have been investigated MO-theoretically using the EHT method. It has been shown that results of population analysis are consistent with the experimental order of relative nucleophilic reactivities and furthermore the reversal of the reactivity order for the less reactive nucleophile, $I^-$, could also be explained satisfactorily.

• Bulletin of the Korean Chemical Society
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• v.25 no.12
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• pp.1911-1916
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• 2004

The conformational preference of tetrahomodioxacalix[4]arenes with three different para substituents on the phenolic ring has been investigated by using ab initio molecular orbital theory (RHF/6-31$G^{\ast}$) and density functional theory (B3LYP/6-31$G^{\ast}$). The stability order is predicted to be cone > C-1,2-alternate > partial cone > 1,3-alternate > COC-1,2-alternate. The distorted cone conformation is found to be most stable in a gas phase and the calculated results are in agreement with the reported $^1$H NMR and X-ray experimental observations. The substitution of methylene with dimethyleneoxa bridges increases the size of the annulus of the molecule, its conformational mobility, and the number of hydrogen bonding patterns. The thermodynamic stability and the conformational characteristics of tetrahomodioxacalix[4]arenes are discussed in regards of the number of phenolic hydrogen bonding patterns and the polarity of a molecule. The substituent effects on the para position of the phenolic ring are also introduced.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.41 no.4
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• pp.319-326
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• 2013

This paper describes the orbital dynamics operation results for the launch and early operations phase (LEOP) of KOMPSAT-3, which was successfully launched on May 18, 2012. At the initial phase, operational orbit determination was carried out using ground tracking data and GPS navigation solution. And, both in-plane and out-of plane maneuvers were executed in order to change the orbit from the injection orbit to the mission orbit. In addition, the accuracy of precise orbit determination was indirectly evaluated by overlapping method using GPS raw data of KOMPSAT-3 and international GNSS service data from worldwide-distributed ground stations. Currently, KOMPSAT-3 is operated in pre-defined mission orbit, and its various kinds of orbit data are generated and distributed to support the normal mission operations.

• Journal of Astronomy and Space Sciences
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• v.24 no.2
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• pp.145-154
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• 2007

Antenna pointing analysis for a geostationary satellite has been performed for using the NORAD Two-Line-Elements (TLE) converted from osculating Keplerian orbital elements. In order to check the possibility of the reception of the satellite signal, the antenna offset angles have been derived for the Communications, Ocean, and Meteorological Satellite (COMS) which carries out weekly East-West and North-South station-keeping maneuvers and twice a day thruster assisted momentum dumping. Throughout the analysis, it is shown that the use of converted NORAD TLE simplifies the antenna pointing related interfaces in satellite mission control system. For a highly eccentric transfer orbit cases, further analysis presents that the converted NORAD TLE from near apogee gives more favorable results.

• The Journal of Korean Academy of Sensory Integration
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• v.14 no.1
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• pp.50-59
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• 2016

Objective : The goal of this study was to investigate neurological mechanism of emotional regulation and to examine the relationship between the regulation and sensory processing. Subjective : Emotional regulations are mainly processed in limbic system, particularly the basal-lateral group of amygdala takes on a major role in the regulations. The basal-lateral group of amygdala links to thalamus directly and/or indirectly which processes sensory information together. This sensory information connects to orbital and medial prefrontal cortex. Inadequate sensory processing may cause difficulties in emotional regulations and behaviors because of a circuit linking the amygdala, the thalamus, and the orbital and medial prefrontal cortex. These difficulties and impairments has been reported in neurological studies for children with ASD and ADHD. Conclusion : Neurological states are different between the normal children and children with ASD and ADHD and these represent various aspects in sensory processing, emotional regulations and behaviors. Thus, therapists working with children with ASD and ADHD need to understand mechanisms of sensory processing and emotional regulations in order to provide adequate treatments.

• Journal of the Korean Chemical Society
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• v.35 no.6
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• pp.607-611
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• 1991

The stereochemical ratio cis and trans isomer of the hydration reaction of trans-$[Co(en)(tmd)Cl_2]^+$ complex ion were studied with varing temperature by the spectrophotometric method. It was observed that the ratio of cis-isomer was about 30%, and the intermediate was rearranged. And in order to investigate this mechanism more clearly, stability energy profile, interaction diagram and orbital correlation diagram were calculated by the EHT method. By the calculation, the mechanism of cis-isomer was in good agreement with the experimental results, and it was estimated that the hydration reaction was carried through some distorted square pyramid (sp).