• 제목/요약/키워드: dipole moment

검색결과 177건 처리시간 0.024초

Poly-$\gamma$-Benzyl D-Glutamine의 자격반응에 관한 연구 (A Study on the Stimulus Reaction of PBDG)

  • 장헌;이경섭
    • 대한전기학회:학술대회논문집
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    • 대한전기학회 2001년도 하계학술대회 논문집 C
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    • pp.1530-1532
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    • 2001
  • The displacement current measuring system used for detecting the dynamic behavior of monolayers at the air-water interface is described. It basically consists of a film balance, a pair of electrodes connected to each other through a sensitive ammeter. Here, one electrode is suspended in air and the other electrode is placed in the water. With Maxwell-displacement-current-measuring method, the phase transitons of Poly-$\gamma$-benzyl p-glutamate (PBDG) on a water surface were detected. Measured surface pressure, displacement current and dipole moment of monolayers of PBDG on the water surface. Also, we measured that compression velocity(30, 40, 50[mm/min]) when the sample spread volume was about 400[ul]. From the result, it is known that current is generated in the range of high surface pressures as compression velocity become faster.

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시뮬레이션에 의한 활성화 에너지 오차 보정 (Error Correction of the Activation Energy by a Simulation Method)

  • 김기준;박승협;홍진웅;이준웅
    • 대한전기학회:학술대회논문집
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    • 대한전기학회 1993년도 정기총회 및 추계학술대회 논문집 학회본부
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    • pp.228-230
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    • 1993
  • In this paper, to investigate the activation energy, dipole moment, relaxation time, and so on related to charged particles more completely, it was applied numerical method of asymptotic estimation to separate single relaxation from TSC spectra with a complex relaxation. As a result, we could calculated the error of physical factors related to charged particles of specimen, more accurately.

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Quantum Chemical Studies of Some Sulphanilamide Schiff Bases Inhibitor Activity Using QSAR Methods

  • Baher, Elham;Darzi, Naser;Morsali, Ali;Beyramabadi, Safar Ali
    • 대한화학회지
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    • 제59권6호
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    • pp.483-487
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    • 2015
  • The different calculated quantum chemical descriptors by DFT method were used for prediction of some sulphanilamide Schiff bases inhibitor activity as a binding constant (log K). Multiple linear regression (MLR) and artificial neural network (ANN) were employed for developing the useful quantitative structure activity relationship (QSAR) model. The obtained results presented superiority of ANN model over the MLR one. The offering QSAR model is very easy to computation and Physico-Chemically interpretable. Sensitivity analysis was used to determine the relative importance of each descriptor in ANN model. The order of importance of each descriptor according to this analysis is: molecular volume, molecular weight and dipole moment, respectively. These descriptors appear good information related to different structure of sulphanilamide Schiff bases can participate in their inhibitor activity.

Theoretical Study of the N-(2,5-Methylphenyl)salicylaldimine Schiff Base Ligand: Atomic Charges, Molecular Electrostatic Potential, Nonlinear Optical (NLO) Effects and Thermodynamic Properties

  • Zeyrek, Tugrul C.
    • 대한화학회지
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    • 제57권4호
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    • pp.461-471
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    • 2013
  • Optimized geometrical structure, atomic charges, molecular electrostatic potential, nonlinear optical (NLO) effects and thermodynamic properties of the title compound N-(2,5-methylphenyl)salicylaldimine (I) have been investigated by using ab initio quantum chemical computational studies. Calculated results showed that the enol form of (I) is more stable than keto form. The solvent effect was investigated for obtained molecular energies, hardneses and the atomic charge distributions of (I). Natural bond orbital and frontier molecular orbital analysis of the title compound were also performed. The total molecular dipole moment (${\mu}$), linear polarizability (${\alpha}$), and first-order hyperpolarizability (${\beta}$) were calculated by B3LYP method with 6-31G(d), 6-31+G(d,p), 6-31++G(d,p), 6-311+G(d) and 6-311++G(d,p) basis sets to investigate the NLO properties of the compound (I). The standard thermodynamic functions were obtained for the title compound with the temperature ranging from 200 to 450 K.

LiF/Al 후면전극을 이용한 이종 접합 실리콘 태양전지에 관한 연구

  • 봉성재;김선보;안시현;박형식;이준신
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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    • pp.317-317
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    • 2014
  • 본 연구에서는 이종접합 태양전지의 효율 증가를 위해서 초박 두께의 LiF 유전체 층을 후면에 증착하였다. 유전체 LiF층은 금속 전극의 Schottky barrier와 일 함수를 dipole moment를 통해 낮추게 되고 더 높은 전하 주입을 유도하여 장파장대에서 양자 효율을 높인다. 최적화된 20nm 두께의 LiF층은 후면에 ITO가 증착된 이종접합 태양전지와 ITO가 없는 태양전지에 각각 적용하였다. ITO층이 없는 이종접합 태양전지는 690 mV의 개방전압, 33.62 mA/cm2의 단락전류와 17.13 %의 효율을 보였으며 ITO층이 증착된 태양전지에서는 688 mV의 개방전압, 32.73 mA/cm2의 단락전류 그리고 16.83%의 효율을 보였다. QE와 단락전류에서의 개선은 장파장대에서의 광전하 수집이 기인한 것으로 보인다.

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Oil Filled 케이블용 절연유의 유전특성 (Dielectric characteristics of insulating oil for oil filled cables)

  • 서정필;김왕곤;신성권;조경순;홍징웅
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 1994년도 추계학술대회 논문집
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    • pp.147-151
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    • 1994
  • In order to investigate the dielectric characteristic insulating oil is chosen insulating oil for electric cable, and experiment is performed in the temperature range of 30∼120[$^{\circ}C$] and frequency range of 30∼1${\times}$10$\^$6/[㎐]. As a result, the observed linear decrease in tan $\delta$ value at the low frequency range is due to the influence of frequency, whereas the increase in tan $\delta$ value at high frequency range is contributed by the electrode's resistance and dielectric loss. The dipole moment and activation energy of specimen are obtained 1.22(debye) and 12.75∼18.66[㎉/㏖e] of high temperature region, 15.68 ∼ 20.6[㎉/㏖e] of low temperature region respectively.

Poly-${\gamma}$-Benzyl $_L$-Glutamate의 자격반응에 관한 연구 (A Study on the Stimulus Reaction of PBLG)

  • 김병근;이경섭
    • 대한전기학회:학술대회논문집
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    • 대한전기학회 2002년도 하계학술대회 논문집 C
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    • pp.1413-1415
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    • 2002
  • The Displacement current measurement system used in this experiment because detecting the dynamic behavior of monolayers at the air-water interface is possible. It basically consists of a film balance, a pair of electrodes connected to each other through a sensitive ammeter. Here, one electrode is suspended in air and the other electrode is placed in the water. PBLG phase transformation measured by Maxwell-displacement-current-measurement method in surface of the water. Measured (surfacc pressure, displacement current and dipole moment) of monolayers of PBLG on the water surface. We measured displacement current that occur when changed temperature(15, 20, 25$^{\circ}$ ) and the compression speed(30, 40, 50(mm/min)). From the result, it is known that curren generated in the range of high surface pressur compression velocity and temperature become faste.

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(N-docosyl quinolinium)-TCNQ(1:2) 전하 이동 착물 Langmuir-Blodgett막의 분자 배향에 관한 연구 (A Study on the Molecular Orientation of (N-docosyl quinolinium)-TCNQ(1:2) Charge Transfer Complex Langmuir-Blodgett Films)

  • 정순욱;정회걸
    • 한국재료학회지
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    • 제10권8호
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    • pp.564-568
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    • 2000
  • Langmuir-Blodgett(LB) 법은 미래의 분자전자소자를 위한 가장 유력한 수단이며, 이러한 분자박막 소자는 그 성질이 분자는 배향에 영향을 박데 되므로 현재 새로운 물질을 이용하여 분자전자소자의 제작에 있어 관심을 모으고 있다. 본 연구에서는 (N-docosyl quinolinium)-TCNQ(1:2) 전하 이동 착물 LB 막의 분자 배향을 UV/vis 편광흡수 스펙트럼과 FT-IR transmission 및 reflection-absorption 스펙트럼의 흡수강도를 비교하여 정량적으로 평가하였다. 그 결과 TCNQ의 transition dipole moment의 각은 약 56~58。 였으며, 알킬 고리의 경사각은 약 11.1~13。였다. 제작된 Z-형 LB 막의 표면은 고압에서 중앙 높이 차가 3~4$\AA$으로 평탄하였다.

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Rose Bengal 과 Thiourea 의 광촉매 이합체화 반응에 관한 연구 (A Study on the Photocatalytic Dimerization of Rose Bengal and Thiourea)

  • 윤길중
    • 분석과학
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    • 제12권3호
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    • pp.209-217
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    • 1999
  • Rose bengal과 thiourea로 각각 감응 및 초감응된 광전류의 감소 원인을 규명하기 위하여 염료용액을 분광학적인 방법으로 분석하였다. 광조사 전후 감응용액의 흡수 및 형광 스펙트럼을 분석하므로서 RB와 TU사이에 일어나는 광촉매 이합체화 반응 기구를 확인할 수 있었다. 또 두 염료분자가 이루는 쌍극자 모멘트의 기하학적 배열은 사각이었으며, 이들 사이의 각도는 $124^{\circ}$임을 알 수 있었다.

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二中心 Huckel 法의 應用. 포화탄화수소의 C-C 切斷 및 水素의 反應性 (Application of Two Centre Huckel Method for C-C Bond Fission and Hydrogen Abstraction of Saturated Hydrocarbons)

  • 박병각;이무상
    • 대한화학회지
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    • 제16권2호
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    • pp.59-63
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    • 1972
  • In connection with two electron binding energy of each bond of saturated hydrocarbons, C-C bond fission and hydrogen abstraction from C-H bond are discussed by means of two center Huckel method. A beautiful correlation could be noticed between the observed bond dissociation energy and the calculated bond energy except for n-butane. Bond dissociation energies between C-C bond were also related to C-C bond fission. We could also find a very close relation between the relative easiness of hydrogen abstraction and the calculated binding energy of C-H bond. In other words, C-H bonds of tertiary hydrogen have been noticed as most weakely bonded and hence the tertiary hydrogen would most easily from the paraffins. In addition, the C-H binding energy is discussed applying ionic character of C-H bond which is derived from its dipole moment (0.4D)

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