• Environmental Analysis Health and Toxicology
• /
• v.31
• /
• pp.5.1-5.4
• /
• 2016

• Journal of the Korean Chemical Society
• /
• v.16 no.2
• /
• pp.64-69
• /
• 1972

Nucleophilic reactivities of 1-and 2-phenethyl chlorides have been investigated MO-theoretically using the EHT method. It has been shown that results of population analysis are consistent with the experimental order of relative nucleophilic reactivities and furthermore the reversal of the reactivity order for the less reactive nucleophile, $I^-$, could also be explained satisfactorily.

• Fire Science and Engineering
• /
• v.18 no.2
• /
• pp.7-11
• /
• 2004

In this paper, we have simulated the force between the two electrical wires using the finite element method(FEM) according to the value of current and distance when overcurrent flows in the vinyl-insulated vinyl-cabtyre cord(flat-type, 600 V, VCTFK, $2C{\times}1.25mm^2$). And we will present the basic data for the identification of electrical fire by experiment for maximum distance between the two wires according to current and time using large current supply device(Model : EHT_EFAD, Korea) in case of overcurrent.

• Environmental Analysis Health and Toxicology
• /
• v.31
• /
• pp.12.1-12.2
• /
• 2016

• Environmental Analysis Health and Toxicology
• /
• v.30
• /
• pp.13.1-13.2
• /
• 2015

• Journal of the Korean Chemical Society
• /
• v.25 no.3
• /
• pp.140-144
• /
• 1981

The structure and reactivity of isophorone diisocyanate, which is used as a curing agent in propellants casting, were investigated using the EHT, CNDO/2 and STO-3G MO methods. The results showed that the reactivity can be assessed by the positive charge on C atom of -NCO group. The structure of this compound was found to be such that it has slow polymerization rate but provides homogenous matrix for explosives.

• Journal of the Korean Chemical Society
• /
• v.22 no.4
• /
• pp.195-201
• /
• 1978

Configuration and conformation of nicotine and its protonated form have been studied by MO theoretically using EHT and CNDO/2 methods. The form with angle of rotation ${\theta}\;=\;280^{\circ}$ of pyrrolidine ring was shown to be most stable and this was interpreted in terms of conjugative, electrostatic and seric effects. It was predicted that protonation occurs on the nitrogen atom of pyridine ring and forms a ${\pi}$-complex.

• Journal of the Korean Chemical Society
• /
• v.21 no.1
• /
• pp.16-22
• /
• 1977

Bimolecular substitution of $Cl^-$ at carbonyl carbon of $CH_3COCl$ has been investigated MO theoretically by calculating energy profiles (EHT) and electronic distribution (CNDO/2) for frontside and backside attacks at several distances of approach. Considerations of other experimental and MO data together with these calculations support the $S_N2-$retention mechanism for the substitution at carbonyl carbon.

• Nuclear Engineering and Technology
• /
• v.9 no.1
• /
• pp.33-38
• /
• 1977

The molecular orbital theory (EHT) has been applied to the discussion of the reaction mechanism and reactivity of p-substituted phenyl-$\beta$-chloroethyl-sulfones, R-(equation omitted)-$SO_2CH_2CH_2Cl$, where R are $CH_3O\;,CH_3$, Cl, H. The theoretical conclusion derived are in good agreements with the experimental order.

• Environmental Analysis Health and Toxicology
• /
• v.27
• /
• pp.1.1-1.3
• /
• 2012