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F.Y. Naumkin and D.J. Wales
exiting the cages, in particular for refilling the nanofoam. It is hoped that the present
work will stimulate such studies in the near future.
Acknowledgements The authors thank the RSC and the NSERC of Canada for the financial
support of this work via a travel grant to FN. The staff of the HPC facilities of the UOIT Faculty
of Science and of the Sharcnet network of Ontario are acknowledged for their invaluable technical support. FN is grateful to the University of Cambridge Department of Chemistry for their
hospitality during his sabbatical visit.
References
1. Graetz J (2009) Chem Soc Rev 38:73
2. Wagemans RWP et al (2005) J Am Chem Soc 127:16675
3. Harder S et al (2011) Angew Chem, Int Ed 50:4156
4. Srinivasu K et al (2012) RSC Adv 2:2914
5. Bandaru S et al (2012) Int J Quant Chem 112:695
6. Wang L et al (2009) J Comput Chem 30:2509
7. Henry DJ, Yarovsky I (2009) J Phys Chem A 113:2565
8. McNelles P, Naumkin FY (2009) Phys Chem Chem Phys 11:2858
9. Allouche A (2008) Phys Rev B 78:085429
10. Lingam CB et al (2011) Comput Theor Chem 963:371
11. Sun Y, Fournier R (2005) Comput Lett 1:1
12. Boys SF, Bernardi F (1970) Mol Phys 19:553
13. Valiev M et al (2010) NWChem, version 6.x. Comput Phys Commun 181:1477
14. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88:899
15. Naumkin FY, Wales DJ (2012) Int J Quant Chem 112:3068
16. Naumkin FY, Wales DJ (2011) J Phys Chem A 115:12105
17. Naumkin FY, Wales DJ (2012) Chem Phys Lett 545:44
18. Skorb EV et al (2010) Nanoscale 2:722
F.Y. Naumkin and D.J. Wales
exiting the cages, in particular for refilling the nanofoam. It is hoped that the present
work will stimulate such studies in the near future.
Acknowledgements The authors thank the RSC and the NSERC of Canada for the financial
support of this work via a travel grant to FN. The staff of the HPC facilities of the UOIT Faculty
of Science and of the Sharcnet network of Ontario are acknowledged for their invaluable technical support. FN is grateful to the University of Cambridge Department of Chemistry for their
hospitality during his sabbatical visit.
References
1. Graetz J (2009) Chem Soc Rev 38:73
2. Wagemans RWP et al (2005) J Am Chem Soc 127:16675
3. Harder S et al (2011) Angew Chem, Int Ed 50:4156
4. Srinivasu K et al (2012) RSC Adv 2:2914
5. Bandaru S et al (2012) Int J Quant Chem 112:695
6. Wang L et al (2009) J Comput Chem 30:2509
7. Henry DJ, Yarovsky I (2009) J Phys Chem A 113:2565
8. McNelles P, Naumkin FY (2009) Phys Chem Chem Phys 11:2858
9. Allouche A (2008) Phys Rev B 78:085429
10. Lingam CB et al (2011) Comput Theor Chem 963:371
11. Sun Y, Fournier R (2005) Comput Lett 1:1
12. Boys SF, Bernardi F (1970) Mol Phys 19:553
13. Valiev M et al (2010) NWChem, version 6.x. Comput Phys Commun 181:1477
14. Reed AE, Curtiss LA, Weinhold F (1988) Chem Rev 88:899
15. Naumkin FY, Wales DJ (2012) Int J Quant Chem 112:3068
16. Naumkin FY, Wales DJ (2011) J Phys Chem A 115:12105
17. Naumkin FY, Wales DJ (2012) Chem Phys Lett 545:44
18. Skorb EV et al (2010) Nanoscale 2:722