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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 19, Number 5
JKCSEZ 19(5)
October 20, 1975 

Reaction Probabilities for Three-atom Rearrangement Reaction. A + B - C = A - B + C : An Idealized Classical Approach

삼원자 치환반응의 반응확률. 간단한 고전역학적 취급
Yoo Hang Kim, Hyung Kyu Shin

김유항, 신형규
직선 충돌모형을 써서 삼원자 치환반응 A+B-C→A-B+C의 반응확율을 전체 에너지의 함수로 개선하였다. 사용한 포텐셜 에너지 역시 극히 단순한 이상적인 것이다. 세원자의 질량이 모두 같은 경우에 대하여 수치로 결과를 얻어서 더욱 더 간단한 모형을 쓴 다른 연구자들의 결과와 비교하여 정성적으로 더 나음을 알았다.

An idealized linear collision model has been employed to calculate the reaction probabilities for the three-atom rearrangement reaction A + B - C → A - B + C. Potential energy surface used is also a highly idealized one with constant values. Numerical results were obtained for the system in which the atomic masses of all three atoms are the same. Potentials were varied to see the effect of the magnitude of the opposing potential barrier on the reaction probabilities. Results obtained were compared with those obtained using different models.

294 - 303
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