A (U)MP2(full) and (U)CCSD(T) theoretical investigation into the substituent effects on the intermolecular T-shaped F–H…π interactions between HF and LBBL (L = −H, ∶CO, :NN, –Cl, –CN and

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A (U)MP2(full) and (U)CCSD(T) theoretical investigation into the substituent effects on the intermolecular T-shaped F–H…π interactions between HF and LBBL (L = −H, ∶CO, :NN, –Cl, –CN and –NC)

Published:2011-11-25 Issue:7 Volume:18 Page:2959-2969
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Yang Zhao-ming,Zhang Lin,Chen Li-zhen,Ren Fu-de,Du Shan,Yang Lei

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-011-1292-0.pdf

Reference38 articles.

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3. Hirota M, Sakakibara K, Suezawa H, Yuzuri T, Ankai E, Nishio M (2000) J Phys Org Chem 13:620–623

4. Takahashi O, Kohno Y, Saito K (2003) Chem Phys Lett 378:509–515

5. Linares M, Pellegatti A, Roussel C (2004) J Mol Struct (THEOCHEM) 680:169–180

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