مقال فى مجلة
Hochlaf, S Ben Yaghlane, N-E Jaidane, CE Cotton, JS Francisco, MM Al Mogren, Roberto Linguerri, M . 2014
نوع عمل المنشور
مقاله
وسوم
مقال
مجلة/صحيفة
The Journal of chemical physics
رقم الانشاء
140
رقم المجلد
24
الصفحات
244309
تاريخ المؤتمر
ملخص المنشورات
We performed accurate ab initio investigations of the geometric parameters and the
vibrational structure of neutral HNS/HSN triatomics and their singly charged anions and
cations. We used standard and explicitly correlated coupled cluster approaches in
connection with large basis sets. At the highest levels of description, we show that results
nicely approach those obtained at the complete basis set limit. Moreover, we generated the
three-dimensional potential energy surfaces (3D PESs) for these molecular entities at the ...
Total citations
Cited by 11