Chemical reactions - 1 News by National Institutes of Natural Sciences (NINS)

Chemical reactions - 1 News by National Institutes of Natural Sciences (NINS)

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A reliable and efficient computational method for finding transition states in chemical reactions

27-Mar-2024 - A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing method, the present method reduces the total computational cost by approximately 50 to 70%. The ...

chemical reactions computational chemistry transition states

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