Simulation of photoelectron spectrum of OClO molecule : including Duschinsky and anharmonicity effects
عنوان مقاله: Simulation of photoelectron spectrum of OClO molecule : including Duschinsky and anharmonicity effects
شناسه ملی مقاله: ISPTC12_161
منتشر شده در دوازدهمین سمینار شیمی فیزیک ایران در سال 1388
شناسه ملی مقاله: ISPTC12_161
منتشر شده در دوازدهمین سمینار شیمی فیزیک ایران در سال 1388
مشخصات نویسندگان مقاله:
Maryam Dehestani - Department of Chemistry, Shahid Bahonar of University of Kerman, Kerman, Iran
Motahare Shool - Department of Chemistry, Shahid Bahonar of University of Kerman, Kerman, Iran
خلاصه مقاله:
Maryam Dehestani - Department of Chemistry, Shahid Bahonar of University of Kerman, Kerman, Iran
Motahare Shool - Department of Chemistry, Shahid Bahonar of University of Kerman, Kerman, Iran
The vibrational spectra of molecular systems show definite deviations from the predictions of the harmonic model. In order to interpret these experimental results satisfactorily, it is necessary to drop the assumption of infinitesimal displacement of the atoms and to use a more complex model in which terms higher than the second are retained in the potential function [1].
صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/292313/