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  5. New counterpoise-free SCS-and SOS-MP2 methods for interaction energies of large scale clusters of io

New counterpoise-free SCS-and SOS-MP2 methods for interaction energies of large scale clusters of io

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：xielianqin
【摘 要】
：
In this study we present modifications of the original SCS-and SOS-MP2 methods [1,2] for studying interaction energies of ionic liquids(IL) within chemical accuracy without the need for time-consuming
【作 者】
：
Ekaterina I Izgorodin Jason Rigby Santiago Barrera Acevedo 
【机 构】
：
School of Chemistry,Monash University,17 Rainforest Walk,Clayton,VIC 3800 AUSTRALIA
【出 处】
：
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
：
2015年5期
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In this study we present modifications of the original SCS-and SOS-MP2 methods [1,2] for studying interaction energies of ionic liquids(IL) within chemical accuracy without the need for time-consuming counterpoise correction.
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