Ultrafast Laser Ionization Mass Spectrometry and Theoretical Prediction of the Spectrum for Compounds related to Terrorism.

对与恐怖主义有关的化合物的超快电离质谱进行了量子化学计算，以便对分子参数进行理论预测，同时铭记日本实现了以安全为自豪和世界上最安全的国家。九州大学工程研究生院为产生超短光脉冲而研制的激光器用于电离。利用高斯03程序对分析所需的跃迁能和电离能进行了理论计算。

Quantum chemical calculation was performed for ultrafast ionization mass spectrometry of the compounds related to terrorism for theoretical prediction of the molecular parameters, keeping in mind the realization of Japan being proud of security and the safest country in the world. A laser developed for the generation of an ultrashort optical pulse in Graduate School of Engineering, Kyushu University was used for ionization. The transition energy and the ionization energy necessary in analysis were theoretically calculated using Gaussian03 program.