• Title/Summary/Keyword: orbital order

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Semi-Empirical MO Calculations on ${\pi}$-Nonbonded and ${\sigma}$-Conjugative Interactions (반경험적 분자궤도함수 계산법에 의한 ${\pi}$-비결합 및 ${\sigma}$-컨쥬게이션 상호작용에 관한 연구)

  • Ikchoon Lee;Young Gu Cheun;Kiyull Yang;Wang Ki Kim
    • Journal of the Korean Chemical Society
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    • v.26 no.4
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    • pp.195-204
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    • 1982
  • Semi-empirical MO calculations, EHT, CNDO/2, MINDO/3, and MNDO met hods, were performed on various geometries of n-butane, n-alkyl radical and tetramethylene diracal (triplet) in order to compare eigenvalue and eigenvector properties with those obtained by STO-3G method. All methods predicted the same relative order of stabilities of various geometries for n-butane; geometrical preferences were found to be dominated by one-electron factor, ${\pi}$-orbital energy changes being more impotant in the semi-empirical methods. The hyperconjugative energy changes accompanying structural changes from $(n-{\sigma}{\ast})_{trans}$ to (n-{\sigma}{\ast})cis were underestimated in the EHT, CNDO/2 and MINDO/3, whereas those were overestimated in the MNDO. The net destabilizing effect of $(n-{\sigma}{\ast})_{trans}$ structure was mainly due to the large internuclear energy involved in the structure. Through-space interaction between $n_1$ and $n_2$ orbitals of diradical caused energy gap narrowing of ${\Delta}E_{sp}$ and ${\Delta}{\varepsilon}={\varepsilon}_0$-${\varepsilon}_{av}$; through-space interaction had opposing effect to that of through-bond interaction. Due to the less severe neglect of differential overlaps in the MNDO, this energy gap narrowing effect appeared amplified in the MNDO. In general orbital properties were found to be reproduced satisfactorily, but eigenvalue properties were not, in all the semi-empirical methods especially when ${\sigma}-{\sigma}{\ast}$ and n-$n-{\sigma}{\ast}$interactions were involved.

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A Critical Note on the Electric Field in Direct and Alternating Current and Its Consciousness

  • Oh, Hung-Kuk
    • Proceedings of the Korean Society for Emotion and Sensibility Conference
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    • 2000.11a
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    • pp.98-104
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    • 2000
  • The conventional model did not take momentum conservation into consideration when the electron absorbs and emits the photons. II-ray provides momentum conservations on any directions of the entering photons, and also the electrons have radial momentum conservations and fully elastic bouncing between two atoms, in the new atom model. Conventional atom model must be criticized on the following four points. (1) Natural motions between positive and negative entities are not circular motions but linear going and returning ones, for examples sexual motion, tidal motion, day and night etc. Because the radius of hydrogen atom's electron orbit is the order of 10$^{-11}$ m and the radia of the nucleons in the nucleus are the order of 10$^{-14}$ m and then the converging $\pi$-gamma rays to the nucleus have so great circular momentum, the electron can not have a circular motion. We can say without doubt that any elementary mass particle can have only linear motion, because of the $\pi$-rays'hindrances, nearthenucleus. (2) Potential energy generation was neglected when electron changes its orbit from outer one to inner one. The h v is the kinetic energy of the photo-electron. The total energy difference between orbits comprises kinetic and potential energies. (3) The structure of the space must be taken into consideration because the properties of the electron do not change during the transition from outer orbit to inner one even though it produces photon. (4) Total energy conservation law applies to the energy flow between mind and matter because we daily experiences a interconnection between mind and body. Conventional Concept of Electric Field must be extended in the case of the direct and alternating current. Conventional concept is based on coulomb's force while the electric potential in the direct and alternating current is from Gibb's free energy. And also conventional concept has not any consciousness with human being but the latters has a conscious sensibility. The cell emf is from the kinetic energy of the open $\pi$-rays flow through the conducting wire. The electric potential in alternating current is from that the trans-orbital moving of the induced change of magnetic field in the wire produces flows of open $\pi$-rays, which push the rotating electrons on the orbital and then make the current flow. Human consciousness can induce a resonance with the sensibility of the open $\pi$-rays in the electric measuring equipment. Specially treated acupunctures with Nasucon is for sending an acupunctural effect from one place to another via space by someone's will power.

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Design and Development of MIMIC regarding Telemetry in LEO Satellites (저궤도 관측위성에서의 원격 측정 데이터 관련 MIMIC 설계 및 구현)

  • Huh, Yun-Goo;Kim, Young-Yun;Cho, Seung-Won;Choi, Jong-Yeoun
    • Aerospace Engineering and Technology
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    • v.11 no.1
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    • pp.42-48
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    • 2012
  • The telemetry data received from satellite in real-time are used to monitor LEO satellite during the AIT (Assembly, Integration & Test) phase and the mission operation phase after launch. However, it is impossible to check all the incoming telemetry data from satellite in real time in order to detect abnormality of satellite quickly. Especially, the contact time of LEO satellite is limited because of its orbital characteristics. So the anomaly state of the LEO satellite should be detected and resolved during the contact time. Therefore, all incoming spacecraft telemetry data must be selected and manipulated in MIMIC. It is used in order to display summarized information about spacecraft in a visualized way that is quickly and easily understood. That is, it provides essential function to monitor a satellite both in orbit and during testing. In this paper, the design and development of MIMIC currently used in KOMPSAT, a LEO Earth observation satellite is described in detail. In future work, we plan to enhance MIMIC in order to improve user-friendliness and efficiency.

The Literature Study on Jung point venesection therapy (정혈(井穴) 자락요법(刺絡療法)에 관(關)한 문헌고찰(文獻考察))

  • Kim, Yoon-hee;Lee, Hyun;Lee, Byung-ryul
    • Journal of Haehwa Medicine
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    • v.10 no.1
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    • pp.237-245
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    • 2001
  • I have come to next conclusions in consequnce of documentary study about medical books of many generations regarding Jung point venesection therapy. 1. Jung point is significant as the beginning of pulse energy flow on meridian, the origin of all meridional pulse energy being located at extrimity terminal, confluence of three yin and three yang, and emergent treatment point. 2. Jung point venesection therapy was much used for the first-aid treatment for acute and thermic disease, and that is the combination of the meaning as of restoration from death and emergent treatment of Jung point and function of openning of orifice, leakage of fever, circulation of blood, remove of edema of venesection therapy. 3. It is very much used for emergency case, five sensory organ disease and CVA, heating shock and so on. Besides that digestive disease, cough, fever with cold, childhood disease, cardiac ache, thoracic disease, numbness of digitus terminal, mental disorder follow that in order. 4. Sosang, Jung point of Arm Greater Yin Lung meridian, is very much used for five sensory organ disease. Sosang is for orbital disease, sangyang for auditory disease, sosang for nasal disease, and sosnag for introitus-throat disease. 5. Ten Jung point is most used for first-aid diseases of CVA, heating shock. 6. Ten Jung point is most used for digestive disease of stomach ache, vomiting, diarrhea, intestinal convulsion. 7. Ten Jung point is most used for cold disease of cough, fever, malaria. 8. Ten Jung point, sosang, kwanchung are much used for childhood disease of acute convulsion and fever. 9. Among Jung point, sosang is most used, 34 times. Next there are Ten Jung point, kwanchung, sangyang, sotaek, jungchung, unbaek, taedon in order. In the order of frequency in use, arm channel is more used than leg channel.

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Optimal Design of Graphite Sheet based Cryogenic Cooler Thermal Control System using Veritrek Software (Veritrek 소프트웨어를 활용한 그라파이트시트 기반 극저온 냉각기 열 제어 시스템 최적설계)

  • Bong-Geon Chae;Hye-In Kim;Hyun-Ung Oh
    • Journal of Aerospace System Engineering
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    • v.18 no.2
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    • pp.71-78
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    • 2024
  • During the initial thermal design process, determining the thermal effect of various design variables in a complex orbital thermal environment is time-consuming. To save time in the initial design phase, it is necessary to quickly derive optimal design parameters and predict the temperature. To address these challenges, Veritrek, a software specialized in optimal design using a reduced-order model (ROM), was released in 2018. In this paper, we utilized the Veritrek software to build a reduced-order model, conduct sensitivity analysis, and perform optimal design analysis for a graphite sheet-based cryogenic cooler thermal control system. The goal was to determine the optimal design values for the number of graphite sheet layers, radiator area, and thickness that would meet the allowable temperature of the cryogenic cooler.

Extended Kalman Filter Based Relative State Estimation for Satellites in Formation Flying (확장형 칼만 필터를 이용한 인공위성 편대비행 상대 상태 추정)

  • Lee, Young-Gu;Bang, Hyo-Choong
    • Journal of Institute of Control, Robotics and Systems
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    • v.13 no.10
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    • pp.962-969
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    • 2007
  • In this paper, an approach is developed for relative state estimation of satellite formation flying. To estimate relative states of two satellites, the Extended Kalman Filter Algorithm is adopted with the relative distance and speed between two satellites and attitude of satellite for measurements. Numerical simulations are conducted under two circumstances. The first one presents both chief and deputy satellites are orbiting a circular reference orbit around a perfectly spherical Earth model with no disturbing acceleration, in which the elementary relative orbital motion is taken into account. In reality, however, the Earth is not a perfect sphere, but rather an oblate spheroid, and both satellites are under the effect of $J_2$ geopotential disturbance, which causes the relative distance between two satellites to be on the gradual increase. A near-Earth orbit decays as a result of atmospheric drag. In order to remove the modeling error, the second scenario incorporates the effect of the $J_2$ geopotential force, and the atmospheric drag, and the eccentricity in satellite orbit are also considered.

Theoretical Study on the Reaction Mechanism of Azacyclopropenylidene with Epoxypropane: An Insertion Process

  • Tan, Xiaojun;Wang, Weihua;Li, Ping
    • Bulletin of the Korean Chemical Society
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    • v.35 no.9
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    • pp.2717-2722
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    • 2014
  • The reaction mechanism between azacyclopropenylidene and epoxypropane has been systematically investigated employing the second-order M${\o}$ller-Plesset perturbation theory (MP2) method to better understand the reactivity of azacyclopropenylidene with four-membered ring compound epoxypropane. Geometry optimization, vibrational analysis, and energy property for the involved stationary points on the potential energy surface have been calculated. It was found that for the first step of this reaction, azacyclopropenylidene can insert into epoxypropane at its C-O or C-C bond to form spiro intermediate IM. It is easier for the azacyclopropenylidene to insert into the C-O bond than the C-C bond. Through the ring-opened step at the C-C bond of azacyclopropenylidene fragment, IM can transfer to product P1, which is named as pathway (1). On the other hand, through the H-transferred step and subsequent ring-opened step at the C-N bond of azacyclopropenylidene fragment, IM can convert to product P2, which is named as pathway (2). From the thermodynamics viewpoint, the P2 characterized by an allene is the dominating product. From the kinetic viewpoint, the pathway (1) of formation to P1 is primary.

Adsorption and Desorption of CO on W(110) Surfaces

  • Yang, Taek-seung;Jee, Hae-geun;Boo, Jin-Hyo;Han, Hyun-Seok;Lee, Gyung-Hee;Kim, Young-Dok;Lee, Soon-Bo
    • Bulletin of the Korean Chemical Society
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    • v.29 no.6
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    • pp.1115-1120
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    • 2008
  • The adsorption of CO on W(110) surfaces was studied using thermal desorption spectroscopy (TDS), and core and valence level spectroscopy. At 120 K, CO forms a tilted structure at lower coverages ($\alpha$ 1), whereas it adsorbs normal to the surface at higher coverages ($\alpha$ 2). Tilted structures have been suggested to be precursors of dissociative chemisorption; however, experimental evidence is provided for the non-dissociative chemisorption of CO at temperatures above 900 K (which is referred to as the $\beta$ -state): TDS shows first order desorption kinetics. The core and valence level spectra of O/W(110) and those of $\beta$ -CO/W(110) are different. Most importantly, the 4$\sigma$ molecular orbital of CO can be identified in the valence level spectra of the $\beta$ -CO.

MO Studies on the Electronic Structure and Reactivity of Glycinato, Glycine Ester Ligands (Glycinato 및 Glycine Ester 리간드의 전자구조와 반응성에 관한 분자궤도함수론적 연구)

  • Ja Hong Kim
    • Journal of the Korean Chemical Society
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    • v.24 no.1
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    • pp.15-19
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    • 1980
  • CNDO/2, EHT molecular orbital methods are used to investigate the electronic structure and reactivity of glycinato, glycine ester ligands. The results show that bidentate glycinato has a more stable structure, Gly-I with a $105.9^{\circ}$dihedral angle between ${\Delta}O_4C_3C_2$ and ${\Delta}C_3C_2N_1$ than Gly-Ⅱ. The electron inductive effects in the alkyl group substituted glycine ester ligands can also be derived from the calculation. According to the electron density, qN of ligands on the basis of CNDO/2 MO calculations, it is concluded that the stabilities are in the order of glycinato > Gly-Et-ester > Gly-i-Pr-ester > Gly-Me-ester.

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Formulas of Position and Velocity Perturbation for Hyperbolic Orbit and Its Application to Flyby Anomaly

  • Kim, Young-Kwang;Park, Sang-Young
    • Bulletin of the Korean Space Science Society
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    • 2011.04a
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    • pp.26.2-26.2
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    • 2011
  • Flyby anomaly (unexpected energy increase during Earth Gravity Assists) indicates existence of an unknown non-conservative perturbation which affects hyperbolic trajectories. This presentation focuses on first order position and velocity perturbation formulas derived in terms of classical orbital element variations for hyperbolic orbit. By using both the perturbation formulas and numerical approach, we analyze effects of hypothetical acceleration models proposed by Hasse (2009), Lewis (2009), Gerrad and Sumner (2008), and Busack (2007). Based on analysis of perturbation effect on low earth orbit, we find that typical position perturbation is about 10m which is much larger than current orbit determination accuracy. From this, we deduce that anomalous acceleration only affects hyperbolic orbit or behaves differently in bound orbit. On the other hand, based on analysis of perturbation effects on hyperbolic trajectories, we find that position and velocity perturbations are highly different from acceleration models, and all of proposed models fail to explain observed range and Doppler data. Thus, it can be concluded that not only energy variations but also kinematics gives us crucial clues on the flyby anomaly, and kinematical characteristic should be considered in modeling flyby anomaly.

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