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July 21, 2017Journal of Chemical Theory and ComputationOpen Access

Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals

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Authors

ESElvira R. SayfutyarovaQSQiming SunGCGarnet Kin‐Lic Chan

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Sayfutyarova et al. (2017) studied this question.

synapsesocial.com/papers/6a7ca5ce041f7ddee0ba609fhttps://doi.org/10.1021/acs.jctc.7b00128
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