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ȭп ߿ ̷а ϴ ߿ ֽϴ. ̷ ȭ ̷ (ab initio), еԼ ̷ (Density Functional Theory), ǻ͸ ̿ , , ܹ Ŀ ׸ ȣۿ뿡  ߿伺 Ǿ Խϴ. ̷ Ͽ ȭ , , , ȣۿ  , ̴ Ȯ ְ ݴϴ.

̷ ȭ ʱɼ ġ , 빰, ڱ ü, ݵü , ̼, ̿ ȭ , 󿡼 ڹ  ǰ ִ.
ȭа ̷ȭ ñ
, ̿

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