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Analytic Energy Gradients and Hessians of Exact Two-Component Relativistic Methods: Efficient Implementation and Extensive Applications

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Journal:J. Chem. Theory Comput.

All the Authors:G. Guo,B. Suo

First Author:W. Zou*

Correspondence Author:W. Liu*

Volume:16

Page Number:1541−1554

Translation or Not:no

Date of Publication:2020-03-01

Included Journals:SCI

Attachments:

X2Cgradient.pdf

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