trunk/NPthiols/revisionchanges.txt

1) Several relevant works on related systems should be cited and possibly commented upon in the introductions: especially, Soussi et al. Appl. Phys. Lett. 106, 093113 (2015), Losego et al. Nature Mater. 11, 502 (2012), Ong et al. J. Phys. Chem. C 118, 7288 (2014) and Nature materials 12, 410 (2012). 

2) The effect of the orientation of the molecular chains is discussed, but no hint is made at the possible effects of conformation and persistence length of polymers on their thermal conductance, as in Segal et al. JCP 119, 6840 (2003) and many works that followed. 

3) Figure 3 is not referenced in the main text. 

4) When RNEMD is mentioned for the first time, the original paper by Mueller-Plathe should be referenced. 

5) The acronym VSS-RNEMD is not defined. 

6) Langevin Hull is a very recent algorithm: it would be useful that it is defined as "Langevin Hull" algorithm. In addition, it is not obvious that the energy is conserved in a constant-pressure simulation: normally the enthalpy is conserved. A comment on this issue is necessary (page 9) 


The papers on surface modification effects on interfacial conductance
that were suggested by reviewer #1 have been discussed in the
introduction and appropriately cited.

The discussion of the orientation of the ligand chains has been
expanded to include details on spectral localization associated with
chain length that were introduced by Segal, Nitzan and Hanggi.

We have added a reference to Figure 3 in the main text.

We have cited the original Mueller-Plathe paper [JCP 106(14),
pp. 6082-6085, 1997] when we first discuss RNEMD.

We have spelled out velocity shearing and scaling RNEMD when VSS-RNEMD
is first mentioned.

We have quoted all instances of the "Langevin Hull" algorithm.  We
also altered the language on page 9 to indicate that the VSS-RNEMD
moves conserve energy and total angular momentum.  The previous
version of this sentence appeared to be discussing the Langevin Hull,
which is indeed a constant enthalpy method.
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1	1) Several relevant works on related systems should be cited and possibly commented upon in the introductions: especially, Soussi et al. Appl. Phys. Lett. 106, 093113 (2015), Losego et al. Nature Mater. 11, 502 (2012), Ong et al. J. Phys. Chem. C 118, 7288 (2014) and Nature materials 12, 410 (2012).
2
3	2) The effect of the orientation of the molecular chains is discussed, but no hint is made at the possible effects of conformation and persistence length of polymers on their thermal conductance, as in Segal et al. JCP 119, 6840 (2003) and many works that followed.
4
5	3) Figure 3 is not referenced in the main text.
6
7	4) When RNEMD is mentioned for the first time, the original paper by Mueller-Plathe should be referenced.
8
9	5) The acronym VSS-RNEMD is not defined.
10
11	6) Langevin Hull is a very recent algorithm: it would be useful that it is defined as "Langevin Hull" algorithm. In addition, it is not obvious that the energy is conserved in a constant-pressure simulation: normally the enthalpy is conserved. A comment on this issue is necessary (page 9)
12
13
14	The papers on surface modification effects on interfacial conductance
15	that were suggested by reviewer #1 have been discussed in the
16	introduction and appropriately cited.
17
18	The discussion of the orientation of the ligand chains has been
19	expanded to include details on spectral localization associated with
20	chain length that were introduced by Segal, Nitzan and Hanggi.
21
22	We have added a reference to Figure 3 in the main text.
23
24	We have cited the original Mueller-Plathe paper [JCP 106(14),
25	pp. 6082-6085, 1997] when we first discuss RNEMD.
26
27	We have spelled out velocity shearing and scaling RNEMD when VSS-RNEMD
28	is first mentioned.
29
30	We have quoted all instances of the "Langevin Hull" algorithm. We
31	also altered the language on page 9 to indicate that the VSS-RNEMD
32	moves conserve energy and total angular momentum. The previous
33	version of this sentence appeared to be discussing the Langevin Hull,
34	which is indeed a constant enthalpy method.