عنوان Insight into the intermolecular interactions in the NF3–HSO system: a computational study عنوان مجله Journal of Sulfur Chemistry نوع پژوهش مقاله چاپ شده کلیدواژهها NF3; HSO; AIM; binding energies چکیده Quantum calculations were carried out in order to investigate the heterodimers of NF3 with the HSO molecule in the gas phase at the MP2/aug-cc-pVDZ and MP2/aug-cc-pVTZ//MP2/aug-cc-pVDZ com- putational levels. Ten minima were located on the potential energy surface (PES) of the NF3–HSO system. Binding energies corrected with basis set superposition error are in the range 3.15–7.85 kJ/mol. The atom in molecules theory was applied to analyze the nature of intermolecular interactions. پژوهشگران اسماعیلوصالی (نفر اول)، اکرمحسینیان (نفر دوم)، لادناجلاسی (نفر سوم)، مهدیاسرافیلی دیزجی (نفر چهارم)، ستارارشدی (نفر پنجم)