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Molecular Orbital MO Theory: Predicting Geometry of Transition Metal Complexes
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Molecular Orbital MO Theory: Predicting Geometry of Transition Metal Complexes

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Solvent Screening in Zwitterions Analyzed with the Fragment Molecular Orbital Method

Dmitri G Fedorov1

  • 1Research Center for Computational Design of Advanced Functional Materials (CD-FMat) , National Institute of Advanced Industrial Science and Technology (AIST) , Central 2, Umezono 1-1-1 , Tsukuba 305-8568 , Japan.

Journal of Chemical Theory and Computation
|August 29, 2019
PubMed

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