• Title/Summary/Keyword: dipole moment

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Estimation of Excited State Dipole Moment of Exalite Dyes by Solvatochromic Shift Studies

  • Inamdar, S. R.;Nadaf, Y.F.;Deshpande, D.K.;Karguppikar, A.M.
    • Journal of Photoscience
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    • v.9 no.1
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    • pp.29-32
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    • 2002
  • The solvent effect in a series of polar and non-polar solvents of varying dielectric constants and refractive indices has been investigated by studying electronic spectra (S$_1$band) of a series of exalite laser dyes at room temperature (25$\pm$1$\^{C}$). These data are used to determine the magnitude ($\mu$$\_$e/) and direction ($\theta$) of the electric dipole moments in the first electronically excited state. The results indicate that the observed band systems in these compounds may be attributed to ←$\pi$ transition.

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Brain Source Localization using EEG Signals (EEG신호를 이용한 뇌 신호원 국부화에 관한 연구)

  • Jung, Jae-Chul;Song, Min;Lee, He-Young
    • Proceedings of the IEEK Conference
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    • 2002.06e
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    • pp.133-136
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    • 2002
  • EEG(Electroencephalography) is generated by electrical activity between neurons in cortical. Waveform of EEG is changed according to body and mental states. Therefore EEG is used to diagnosis of encephalophyma and epilepsy, etc. Also EEG is used to HCI(Human-Computer Interface). This paper describes estimation of orientation and location of dipole sources. The forward model is three-layer spherical head model and current dipole model. Using analytical solution, EEG is generated. Using MNLS(Minimum-Norm Least-Square) method, orientation and location of dipole moment is estimated.

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A Design of EMI / EMC Crossed Log-Periodic Dipole Antenna (EMI/EMC 측정용 십자형 대수 주기 다이폴 안테나의 설계 및 해석)

  • 김진태;최학근;진년강
    • The Proceeding of the Korean Institute of Electromagnetic Engineering and Science
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    • v.5 no.3
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    • pp.48-58
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    • 1994
  • In this paper, a CLPDA (Crossed Log-Periodic Dipole Antenna) for EMI / EMC Measurement is presented, and is analyzed by Combining the moment method and the transmission line theory. The CLPDA has a broaddband characteristic. It is so important to achieve a impedance matching over op- erating frequency range that Twin-boom method is used at feed point. Here, the current distribution, input admittance, radiation pattern and gain are calculated. In practice CLPDA is fabricated. Calculated result for radiation pattern and gain are very closed to measured result.

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Analysis of GPR antenna by using the moment methods (모멘트 방법을 이용한 GPR용 안테나 해석)

  • 이상준;김세윤
    • Journal of the Korean Institute of Telematics and Electronics D
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    • v.35D no.7
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    • pp.9-16
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    • 1998
  • The nput impedance of a patch-tupe dipole antenna for GPR is calculated by using the moment methods in case that the surrounding medium is modeled on a multi-layer structure consisting of lossy dielectircs. When the cone-type function equivalent to pulse basis function in employed, one of the double integration can be performed analytically. The remaining integration is excuted numerically in a finite rnage and analytically in asymptotic region. The current distributions and input impedances of those antennas are calculated numerically.

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Studies on The Elution Behavior of Ni(II)-${\alpha}$-isonitroso-${\beta}$-diketone Imine Chelates in Reversed-Phase Liquid Chromatography

  • Lee, Won;Kim, In-Whan;Kim, Mi-Kyoung;Kim, Yong-Jun;Jung, Hae-Rim;No, Kyoung-Tai;Kim, Su-Yeon
    • Analytical Science and Technology
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    • v.8 no.4
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    • pp.519-527
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    • 1995
  • The retention mechanism of Ni(II)-${\alpha}$-isonitroso-${\beta}$-diketone imine chelates in reversed-phase HPLC has been studied by examining the effect of temperature, mobile phase composition in acetonitrile-water mixture, and molecular structure on retention. The empirical retention equation was investigated to evaluate the properties of S (hydrophilic index). The value of the S index of the Ni(II) chelates decrease with the increasing column temperature and a linear relationship between S and log $k{_w}^{\prime}$ has been found. The results showed that the S index is influenced by the interaction between Ni(II) chelates and mobile phase. Molecular properties, van der Waals molar volume, polarizability and dipole moment, of the Ni(II) chelates were calculated by Cerius 2 program and the calculations were performed at Universal Force Field (UFF) model. The S value and log $k{_w}^{\prime}$ increase with decreasing the dipole moment of Ni(II) chelates.

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Meaning and Definition of Partial Charges (부분 전하의 의미와 정의)

  • Cho, Seung Joo
    • Journal of Integrative Natural Science
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    • v.3 no.4
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    • pp.231-236
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    • 2010
  • Partial charge is an important and fundamental concept which can explain many aspects of chemistry. Since a molecule can be regarded as neclei surrounded by electron cloud, there is no way to define a partial charge accurately. Nevertheless, there have been many attempts to define these seemingly impossible parameters, since they would facilitate the understanding of molecular properties such as molecular dipole moment, solvation, hydrogen bonding, molecular spectroscopy, chemical reaction, etc. Common methods are based on the charge equalization, orbital occupancy, charge density, and electric multipole moments, and electrostatic potential fitting. Methods based on the charge equalization using electronegativity are very fast, and therefore they have been used to study many compounds. Methods to subdivide orbital occupancy using basis set conversion, relies on the notion that molecular orbitals are composed of atomic orbitals. The main idea is to reduce overlap integral between two nuclei using converted orthogonal basis sets. Using some quantum mechanical observables like electrostatic potential or charge multipole moments. Using potential grids obtained from wavefunction, partial charges can be fitted. these charges are most useful to describe intermolecular electrostatic interactions. Methods to using dipole moment and its derivatives, seems to be sensitive the level of theory, Dividing electron density using density gradient being the most rigorous theoretically among various schemes, bears best potential to describe the charge the most adequately in the future.

Infrared Spectroscopy of Imidazole Trimer in Helium Nanodroplets: Free NH Stretch Mode

  • Lee, Seul-Ki;Lee, Seung-Jun;Ahn, Ah-Reum;Kim, Yu-Sic;Min, Ah-Reum;Choi, Myong-Yong;Miller, Roger E.
    • Bulletin of the Korean Chemical Society
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    • v.32 no.3
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    • pp.885-888
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    • 2011
  • We report the first vibrational band assignment of imidazole trimer (IMT) solvated in helium nanodroplets. Several congested vibrational bands of imidazole (IM) clusters were obtained in the frequency region of $3513-3515\;cm^{-1}$ and vibrationally resolved due to the extremely low temperature (0.37 K) and very weak solutesolvent interaction environments of helium droplets. The unambiguous free NH band assignment was achieved with an aid of pick-up oven temperature dependence and vibrational transition moment angle (VTMA) experiments as well as density functional theory (DFT) calculations. The band at $3514.3\;cm^{-1}$ is attributed to the free NH stretching mode of linear IMT clusters, easily formed by the dipole-dipole interactions of IM in ultracold helium nanodroplets.

Dielectric loss of silicone oils for insulation due to the increase of viscosity (점도증가에 따른 절연용 실리콘유의 유전손실)

  • 이용우;조경순;김왕곤;홍진웅
    • Electrical & Electronic Materials
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    • v.8 no.5
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    • pp.587-593
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    • 1995
  • Silicone oils used insulating substances exhibit the both of organic and inorganic properties, and it has many superior characteristics such as the high thermal resistance and low thermal oxidation level when compared to other insulation oils. In order to investigate the dielectric loss due to the increase of viscosity, silicone oils of viscosity 1, 2, 5[cSt] had been chosen as the specimen and experiment has been performed in the temperature range of -70[.deg. C] - 65[.deg. C] and frequency range of 30 - 1*10$\^$5/[Hz]. As a result, the linear decrease of loss at low frequency region in high temperature was due to the influence of applying frequency, whereas the increase of loss at high frequency region was contributed by electrode's resistance. And increasing viscosity, the activation energy increased from 3.77[kcal/mole] to 7.21[kcal/mole]. The dipole moment of specimen was become clear 1.48 - 2.26[debyel in high temperature region(5 - 65[.deg. C]) and 1.05 - 1.80[debye] in low temperature region (-70 - -25[.deg. C])respectively.

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Effects of the Magnetic Part of The Breit Term on Bonding: Model Calculations with Small Diatomic Molecules

  • Ryu, Seol;Kyoung K. Baeck;Han, Yeong Gyu;Lee, Yun Seop
    • Bulletin of the Korean Chemical Society
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    • v.22 no.9
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    • pp.969-974
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    • 2001
  • Model calculations for small molecules Li2, F2, LiF and BF have been performed at the Dirac-Fock level of theory using Dirac-Coulomb and Dirac-Coulomb-Magnetic Hamiltonians with various basis sets. In order to understand what may happen when the relativity becomes significant, the value of c, speed of light, is varied from the true value of 137.036 a.u. to 105 (nonrelativistic case) and also to 50 and 20 a.u. (exaggerated relativistic cases). Qualitative trends are discussed with special emphasis on the effect of the magnetic part of the Breit interaction term. The known relativistic effects on bonding such as the bond length contraction or expansion are demonstrated in this model study. Total energy, $\pi-orbital$ splitting, bond length, bond dissociation energy and dipole moment are calculated, and shown to be modified in a uniform direction by the effect of the magnetic term. Inclusion of the magnetic term raises the total energy, increases the bond length, reduces the $\pi-orbital$ splitting, increases the bond dissociation energy, and mitigates the changes in dipole moment caused by the Dirac term.