• 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.

• Transactions of the Korean Society of Automotive Engineers
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• v.23 no.3
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• pp.271-278
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• 2015

This paper develops an OBD Diagnostic Program (Program) using Visual Studio (C#), which was used to diagnosis malfunction information from OBD-II system vehicles. We accomplished this using the Program, Diagnostic tests, Board (STN1110), FTDI Basic Cable, Mini USB Cable, OBD Data Cable, and both hybrid and regular vehicles. The Program tests real-time data output, DTC output, sensor value output, engine RPM, waveform data, OBD type check, PID inspection, and whole monitoring. We found vehicles used in this research had 19 PIDs, which was within OBD-II regulations. We also gathered data on control and diagnostic code regulated by OBD-II system, such as, sensor output value, engine RPM, DTC output, each PID analytic value, OBD type, fuel mode, and whole monitoring result value. Using the data collected through the Program appropriately can lead to more effective diagnostic practices and contribute to education.