• 2023年5月5日
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i-EIP source code download

Improved elastic image pair (i-EIP) method for finding transition states. Require Python, Numpy and Gaussian correctly installed in the runtime environment. For more details, please read readme files in the zipped archive. Reference: J. Chem. Theory Comput. 2023, 19, 8, 2410–2417 i-EIP code: i-EIP.zip

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