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/content/aip/journal/jcp/140/22/10.1063/1.4882015
1.
1. A. van der Avoird, R. Podeszwa, K. Szalewicz, C. Leforestier, R. van Harrevelt, P. R. Bunker, M. Schnell, G. von Helden, and G. Meijer, Phys. Chem. Chem. Phys. 12, 8219 (2010).
http://dx.doi.org/10.1039/c002653k
2.
2. J. M. Bakker, Ph.D. thesis, Radboud University Nijmegen, 2004.
3.
3. R. Podeszwa, R. Bukowski, and K. Szalewicz, J. Phys. Chem. A 110, 10345 (2006).
http://dx.doi.org/10.1021/jp064095o
4.
4. R. A. DiStasio, G. von Helden, R. P. Steele, and M. Head-Gordon, Chem. Phys. Lett. 437, 277 (2007).
http://dx.doi.org/10.1016/j.cplett.2007.02.034
5.
5. M. Schnell, U. Erlekam, P. R. Bunker, G. von Helden, J.-U. Grabow, G. Meijer, and A. van der Avoird, Angew. Chem., Int. Ed. 52, 5180 (2013).
http://dx.doi.org/10.1002/anie.201300653
6.
6. M. Schnell, U. Erlekam, P. R. Bunker, G. von Helden, J.-U. Grabow, G. Meijer, and A. van der Avoird, Phys. Chem. Chem. Phys. 15, 10207 (2013).
http://dx.doi.org/10.1039/c3cp51181b
7.
7. A. K. Tummanapelli and S. Vasudevan, J. Chem. Phys. 139, 201102 (2013).
http://dx.doi.org/10.1063/1.4834855
8.
8.See supplementary material at http://dx.doi.org/10.1063/1.4882015 for pilot metadynamics calculations showing that the conclusions of Ref. 7 are unjustified and for an independent estimate of the relevant free energy differences. [Supplementary Material]
9.
9. B. Ensing, A. Laio, M. Parrinello, and M. L. Klein, J. Phys. Chem. B 109, 6676 (2005).
http://dx.doi.org/10.1021/jp045571i
10.
10. A. Laio, A. Rodriguez-Fortea, F. L. Gervasio, M. Ceccarelli, and M. Parrinello, J. Phys. Chem. B 109, 6714 (2005).
http://dx.doi.org/10.1021/jp045424k
11.
11. D. Min, Y. Liu, I. Carbone, and W. Yang, J. Chem. Phys. 126, 194104 (2007).
http://dx.doi.org/10.1063/1.2731769
12.
12. U. Erlekam, M. Frankowski, G. von Helden, and G. Meijer, Phys. Chem. Chem. Phys. 9, 3786 (2007).
http://dx.doi.org/10.1039/b703571c
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/content/aip/journal/jcp/140/22/10.1063/1.4882015
2014-06-12
2016-02-09

Abstract

It is shown that the conclusion of the Communication in A. K. Tummanapelli and S. Vasudevan, J. Chem. Phys.139, 201102 (2013) that the T-shaped structure of the benzene dimer is strongly stabilized with respect to the competing parallel displaced structure by entropy effects is unjustified. Possible clues are given why the calculations that gave rise to this conclusion produced unphysical results.

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