Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecules-Reference-Cited by-同舟云学术

Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecules

Published:2011-06-03 Issue:4-6 Volume:130 Page:749-763
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Saito Toru,Nishihara Satomichi,Yamanaka Shusuke,Kitagawa Yasutaka,Kawakami Takashi,Yamada Satoru,Isobe Hiroshi,Okumura Mitsutaka,Yamaguchi Kizashi

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-011-0941-9.pdf

Reference117 articles.

1. Salem L (1982) Electrons in chemical reactions: first principles. Wiley, New York

2. Borden WT (1982) Diradicals. Wiley, New York

3. Kahn O (1993) Molecular magnetism. VCH Pub, New York

4. Nagakura S (1998) Functionality of molecular systems 1. From Molecules to Molecular Systems, Springer, Tokyo

5. Itoh K, Kinoshita M (2000) Molecular magnetism: new magnetic materials. Gordon & Breach Pub, New York

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