Predictive Models for HOMO and LUMO Energies of N-Donor Heterocycles as Ligands for Lanthanides Separation-Reference-Cited by-同舟云学术

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Predictive Models for HOMO and LUMO Energies of N-Donor Heterocycles as Ligands for Lanthanides Separation

Published:2018-07-04 Issue:11 Volume:37 Page:1800025
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Solov'ev Vitaly P.¹,Ustynyuk Yuri A.²,Zhokhova Nelly I.³,Karpov Kirill V.³

Affiliation:

1. A.N. Frumkin Institute of Physical Chemistry and Electrochemistry; Russian Academy of Sciences; Leninskiy prosp., 31 119071 Moscow Russia

2. Chemistry Department; M.V. Lomonosov Moscow State University; 119991 Moscow Russia

3. Faculty of Physics; M.V. Lomonosov Moscow State University; 119991 Moscow Russia

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/minf.201800025/fullpdf

Reference60 articles.

1. A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons

2. Conservation of orbital symmetry

3. Molecular Orbitals and Organic Chemical Reactions

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