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, 10% ̳ Ȯ 2020-01-30



츮 ȭа 30% ̻ ٿ Ȯ ùķ̼ ߴ. ̹ 40% ߴ 10% ν ߿ ɸ ð ũ ȴ.

 

ȣ ڻ â 1 ڷ ̹ м ̱ ȭȸ(Journal of the American Chemical Societry) 1 10 ¶ǿ ƴ. ( : uMBD: A Materials-Ready Dispersion Correction that Uniformly Treats Metallic, Ionic, and van der Waals Bonding)

 

ο ɼ ߿伺 Ŀ鼭 ǻ ùķ̼ ̿ Ȯ ο 縦 ϴ ָް ִ. ùķ̼ 縦 ռϰ ϱ پ ϴ , ַ еԼ ̷(Density functional theory)̶ ̷п ΰ ִ. еԼ ̷ 鿡 ݵ߽ Ȯϰ Ѵٴ ־. ݵ߽ Ͻ ڰ ؼ 鼭 Ÿ ϴµ, ̸ Ȯ ϱ Ȯ ٴ Ѱ谡 ִ.

 

ݵ߽ Ȯϰ ȿ ִ ο ̷ ϰ, ̸ еԼ ̷п ùķ̼ Ȯ ̴ ߴ. 100 پ 縦 ׽Ʈ 40% ߴ 10% ̳ پ Ȯߴ. Ư ݵ߽ ݼ ݵü 翡 ̸ ϴ ߿ , ο ̷ پ ɼ ȴ. ùķ̼ Ƭ ̿ ͸ ̳ 2 ڸ ϴ Ȯ Ȯεƴ.

 

־ ȭ ؼ ߿伺 Ŀ ִ ùķ̼ ͸ , ȯ ˸ , 2 پ ɼ ̴ ߴ. ̹ ѱ ̷Ŀ (SRC) ƴ.

 

׸

׸1. Ӱ ̷ (uMBD) ̿ ùķ̼ ɼ