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1
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11744354524
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-
note
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There are different ways to define a double Morse potential. The definition given here has been somewhat simplified for convenience.
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-
-
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11
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0000544675
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-
and references therein
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Novak A 1974 Struct. Bonding 18 177 and references therein
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(1974)
Struct. Bonding
, vol.18
, pp. 177
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-
Novak, A.1
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14
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-
11744376292
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-
note
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In connection with hydrogen bonds and double-well potentials, the term 'symmetric' is used with two different meanings and this may lead to some confusion. A double-well potential, in which both minima have the same value for the energy, is generally called a 'symmetric double-well potential'. On the other hand, in a 'symmetric hydrogen bond', the proton is situated in the middle between its two neighbours. Such a bond is represented by a single-minimum potential. Throughout this text the term 'symmetric hydrogen bond' is used in connection with a single-minimum potential, while 'symmetric' and 'non-symmetric' double-well potentials describe 'non-symmetric' hydrogen bonds.
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16
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0001267718
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Nelmes R J, Loveday J S, Wilson R M, Besson J M, Pruzan Ph, Klotz S, Hamel G and Hull S 1993 Phys. Rev. Lett. 71 1192
-
(1993)
Phys. Rev. Lett.
, vol.71
, pp. 1192
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-
Nelmes, R.J.1
Loveday, J.S.2
Wilson, R.M.3
Besson, J.M.4
Pruzan, Ph.5
Klotz, S.6
Hamel, G.7
Hull, S.8
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17
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11744318392
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Thesis Universität GH Paderborn
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Schäferjohann V 1990 Thesis Universität GH Paderborn
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(1990)
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Schäferjohann, V.1
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18
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-
11744270977
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-
note
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Hydrogen bonds have been classified in reference [11], according to the bond length: R > 270 pm ('weak'), 260 pm < R < 270 pm ('intermediate'), R < 260 pm ('strong'). This nomenclature is occasionally adopted here, because it finds physical support in the present model.
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-
-
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19
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-
11744309589
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-
note
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Negative mode-Grüneisen parameters are not only typical of O-H⋯O hydrogen bonds, but can also be found in other substances, e.g., the hydrogen halides (see references [20, 21]). For the interpretation, double-well potentials are also used in these cases [22].
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-
-
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22
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0010347070
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Jansen R W, Bertoncini R, Pinnick D A, Katz A I, Hanson R C, Sankey O F and O'Keeffe M 1987 Phys. Rev. B 35 9830
-
(1987)
Phys. Rev. B
, vol.35
, pp. 9830
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-
Jansen, R.W.1
Bertoncini, R.2
Pinnick, D.A.3
Katz, A.I.4
Hanson, R.C.5
Sankey, O.F.6
O'Keeffe, M.7
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23
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-
6944254199
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Lee C, Vanderbilt D, Laason K, Car R and Parrinello M 1993 Phys. Rev. B 47 4863
-
(1993)
Phys. Rev. B
, vol.47
, pp. 4863
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-
Lee, C.1
Vanderbilt, D.2
Laason, K.3
Car, R.4
Parrinello, M.5
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30
-
-
11744346791
-
-
note
-
For asymmetric bonds, in which the proton is more closely connected to one of its neighbours, the use of these reduced masses is justified, but for the symmetric case, reduced masses, which take into account both neighbours, or even the bare proton and deuteron masses, may be more appropriate. However, this makes only a minor contribution and for the sake of uniformity the reduced masses, given in the text, have been used in all of the calculations.
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34
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33745788045
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Hemley R J, Jephcoat A P, Mao H K, Zha C S, Finger L W and Cox D E 1987 Nature 330 737
-
(1987)
Nature
, vol.330
, pp. 737
-
-
Hemley, R.J.1
Jephcoat, A.P.2
Mao, H.K.3
Zha, C.S.4
Finger, L.W.5
Cox, D.E.6
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37
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-
0029825875
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Goncharov A F, Struzhkin V V, Somayazulu M S, Hemley R J and Mao H K 1996 Science 273 218
-
(1996)
Science
, vol.273
, pp. 218
-
-
Goncharov, A.F.1
Struzhkin, V.V.2
Somayazulu, M.S.3
Hemley, R.J.4
Mao, H.K.5
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46
-
-
11744376293
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-
note
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-1 has been assumed (figure 13).
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