• Bulletin of the Korean Chemical Society
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• v.33 no.9
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• pp.3017-3024
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• 2012

The geometrical parameters, vibrational frequencies, and binding energies for $(H_2O_3)_n$ (n = 1-5) have been investigated using various quantum mechanical techniques. The possible structures of the clusters (n = 2-5) are fully optimized and the binding energies are predicted using energy differences at each optimized geometry. The harmonic vibrational frequencies are also determined and zero-point vibrational energies (ZPVEs) are considered for the better prediction of the binding energy. The best estimation of the binding energy for the dimer is 8.65 kcal/mol. For n = 2 and 3, linear structures with all trans forms of the HOOOH monomers are predicted to be the lowest conformations in energy, while the cyclic structures with all cis-HOOOH monomers are preferable structures for n = 4 and 5.

• Journal of the Korean Chemical Society
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• v.59 no.4
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• pp.358-363
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• 2015

• Journal of the Korean Chemical Society
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• v.57 no.6
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• pp.869-873
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• 2013

• Journal of KSNVE
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• v.8 no.6
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• pp.1137-1143
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• 1998

This paper describes the method to measure of the vibrational power transmitted from the vibration source to the supporting structure in the horizontal direction. Generally, it is impossible to measure horizontal forces at the coupling points. However. the vibrational Power transmitted in the horizontal direction can be measured by using indirect method that is based on the mechanical impedance and velocities at the coupling points. We proposed the method to estimate the vibrational power when the vibration source and supporting structure cannot be separated. In this paper. the vibrational power transmitted in the horizontal direction is also estimated by using this method. The estimated and measured results of the mobilities at the coupling point and vibrational power in the horizontal direction are compared. It is shown that the estimated results agree well with the measured results. For the supporting structure with multiple coupling points, the other coupling points should be considered for measuring the vibrational power transmitted through one coupling points. We examine the effects of other coupling points and measure the vibrational power without considering the other coupling points.

• Journal of the Korean Chemical Society
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• v.46 no.1
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• pp.14-18
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• 2002

It is shown that one-electron reduction of nitric oxide (NO) to nitroxyl anion $(NO^-)$ can be accelerated by vibrational energy. Potential energy surfaces of NO and $NO^-$ reveal that the vertical transition between them has favorable energetics for vibrationally excited molecule. Also, Franck-Condon factors between NO and $NO^-$ vibrational wave functions are calculated. It shows that the number of open channels increases with increased vibrational energy. These results mean that we can control the rate of reduction of NO to $NO^-$ by radiating an appropriate light.

• Bulletin of the Korean Chemical Society
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• v.15 no.3
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• pp.228-236
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• 1994

The effect of the vibration mode coupling induced by the vibration-rotation interaction on total energy was investigated for the states with zero total angular momentum(J=0) in a quasilinear symmetric triatomic molecule of $AB_2$ type using a model potential function with a slight potential barrier to linearity. It is found that the coupling energy becomes larger for the levels of bend and asymmetric stretch modes and smaller for symmetric stretch mode as the excitation of the vibrational modes occurs. The results for the real molecule of $CH_2^+$, which is quasilinear, generally agree with the results for the model potential function in that common mode selective dependence of coupling energy is exhibited in both cases. The differences between the results for the model and real potential function in H-C-H system are analyzed and explained in terms of heavy mixing of the symmetric stretch and bend mode in excited vibrational states of the real molecule of $CH_2^+$. It is shown that the vibrational mode coupling in the potential energy function is primarily responsible for the broken nodal structure and chaotic behavior in highly excited levels of $CH_2^+$ for J= 0.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.28 no.12
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• pp.1494-1500
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• 2004

A zero-dimensional direct simulation Monte Carlo(DSMC) model is developed for simulating diatomic gas including vibrational kinetics. The method is applied to the simulation of two systems: vibrational relaxation of a simple harmonic oscillator and translational-rotational-vibrational energy exchange process under heating and cooling. In the present DSMC method, the variable hard sphere molecular model and no time counter technique are used to simulate the molecular collision kinetics. For simulation of diatomic gas flows, the Borgnakke-Larsen phenomenological model is adopted to redistribute the translational and internal energies.

• Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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• 2016.10a
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• pp.533-536
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• 2016

This paper describes a vibrational energy harvesting circuit with MPPT control. A high-performance AC-DC converter of which the efficiency is improved by using body-bias technique and bulk-driven technique is proposed and applied for the vibrational energy harvesting circuit design. MPPT (Maximum Power Point Tracking) control function is implemented using the linear relationship between the open-circuit voltage of a vibrational device and its MPP voltage. The designed MPPT control circuit traces the maximum power point by periodically sampling the open circuit voltage of a vibrational device, makes the reference voltages using sampled voltage and delivers the maximum available power to load. The proposed circuit is designed with a $0.35{\mu}m$ CMOS process, and the chip area is $1.21mm{\times}0.98mm$.

• Bulletin of the Korean Chemical Society
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• v.35 no.9
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• pp.2699-2703
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• 2014

We solve the Klein-Gordon equation with the modified Rosen-Morse potential energy model. The bound state energy equation has been obtained by using the supersymmetric shape invariance approach. The relativistic vibrational transition frequencies for the $6^1{\Pi}_u$ state of the $^7Li_2$ molecule have been computed by using the modified Rosen-Morse potential model. The calculated relativistic vibrational transition frequencies are in good agreement with the experimental RKR values.

• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.179-183
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• 2002

Resonance-enhanced multiphoton ionization with time-of-flight product imaging of the $N(^2D)$ atoms has been used to study the $N_2O$ photodissociation at 118.2 nm and the two-photon dissociation at 268.9 nm. These imaging experiments allowed the determination of the total kinetic energy distribution of the $NO(X^2{\prod})$ and $N(^2D_{5/2})$ products. The $NO(X^2{\prod})$ fragments resulting from the photodissociation processes are produced in highly vibrationally excited states. The two-photon photodissociation process yields a broad $NO(X^2{\prod})$ vibrational energy distribution, while the 118.2 nm dissociation appears to produce a vibrational distribution sharply peaked at $NO(X^2{\prod},\;{\nu}=14)$.