-
4
-
-
0000135791
-
-
Tuckerman, M.; Laasonen, L.; Sprik, M.; Parrinello, M. J. Chem. Phys. 1995, 103, 150.
-
(1995)
J. Chem. Phys
, vol.103
, pp. 150
-
-
Tuckerman, M.1
Laasonen, L.2
Sprik, M.3
Parrinello, M.4
-
5
-
-
0542436236
-
-
Tuckerman, M.; Laasonen, L.; Sprik, M.; Parrinello, M. J. Phys. Chem. 1995, 99, 5749.
-
(1995)
J. Phys. Chem
, vol.99
, pp. 5749
-
-
Tuckerman, M.1
Laasonen, L.2
Sprik, M.3
Parrinello, M.4
-
7
-
-
0033580290
-
-
Marx, D.; Tuckerman, M. E.; Parrinello, M. Nature 1999, 397, 601.
-
(1999)
Nature
, vol.397
, pp. 601
-
-
Marx, D.1
Tuckerman, M.E.2
Parrinello, M.3
-
9
-
-
0035896410
-
-
Geissler, P. L.; Dellago, C.; Chandler, D.; Hutter, J.; Parrinello, M. Science 2001, 291, 2121.
-
(2001)
Science
, vol.291
, pp. 2121
-
-
Geissler, P.L.1
Dellago, C.2
Chandler, D.3
Hutter, J.4
Parrinello, M.5
-
11
-
-
8344275198
-
-
Botti, A.; Bruni, F.; Imberti, S.; Ricci, M. A.; Soper, A. K. J. Chem. Phys. 2004, 121, 7840.
-
(2004)
J. Chem. Phys
, vol.121
, pp. 7840
-
-
Botti, A.1
Bruni, F.2
Imberti, S.3
Ricci, M.A.4
Soper, A.K.5
-
12
-
-
18744399310
-
-
Astagiri, D.; Pratt, L. R.; Kress, J. D. Proc. Natl. Acad. Sci. 2005, 102, 6704.
-
(2005)
Proc. Natl. Acad. Sci
, vol.102
, pp. 6704
-
-
Astagiri, D.1
Pratt, L.R.2
Kress, J.D.3
-
13
-
-
20544457598
-
-
Headrick, J. M.; Diken, E. G.; Walters, R. S.; Hammer, N. I.; Christie, R. A.; Cui, J.; Myshakin, E. M.; Duncan, M. A.; Johnson, M. A.; Jordan, M. A. Science 2005, 308, 1765.
-
(2005)
Science
, vol.308
, pp. 1765
-
-
Headrick, J.M.1
Diken, E.G.2
Walters, R.S.3
Hammer, N.I.4
Christie, R.A.5
Cui, J.6
Myshakin, E.M.7
Duncan, M.A.8
Johnson, M.A.9
Jordan, M.A.10
-
17
-
-
33745784797
-
-
Botti, A.; Bruni, F.; Ricci, M. A.; Soper, A. K. J. Chem. Phys. 2006, 125, 014508.
-
(2006)
J. Chem. Phys
, vol.125
, pp. 014508
-
-
Botti, A.1
Bruni, F.2
Ricci, M.A.3
Soper, A.K.4
-
19
-
-
0000612972
-
-
Soper, A. K. J. Mol. Liq. 1998, 78, 179. Soper, A. K. Chem. Phys. 2000, 258, 121. Soper, A. K. Mol. Phys. 2001, 99, 1503.
-
Soper, A. K. J. Mol. Liq. 1998, 78, 179. Soper, A. K. Chem. Phys. 2000, 258, 121. Soper, A. K. Mol. Phys. 2001, 99, 1503.
-
-
-
-
22
-
-
2942696389
-
-
Botti, A.; Bruni, F.; Imberti, S.; Ricci, M. A.; Soper, A. K. J. Chem. Phys. 2004, 120, 10154.
-
(2004)
J. Chem. Phys
, vol.120
, pp. 10154
-
-
Botti, A.1
Bruni, F.2
Imberti, S.3
Ricci, M.A.4
Soper, A.K.5
-
23
-
-
21444438653
-
-
Imberti, S.; Botti, A.; Bruni, F.; Cappa, G.; Ricci, M. A.; Soper, A. K. J. Chem. Phys. 2005, 122, 194509.
-
(2005)
J. Chem. Phys
, vol.122
, pp. 194509
-
-
Imberti, S.1
Botti, A.2
Bruni, F.3
Cappa, G.4
Ricci, M.A.5
Soper, A.K.6
-
24
-
-
33748535457
-
-
McLain, S. E.; Imberti, S.; Soper, A. K.; Botti, A.; Bruni, F.; Ricci, M. A. Phys. Rev. B 2006, 74, 094201.
-
(2006)
Phys. Rev. B
, vol.74
, pp. 094201
-
-
McLain, S.E.1
Imberti, S.2
Soper, A.K.3
Botti, A.4
Bruni, F.5
Ricci, M.A.6
-
25
-
-
34249997342
-
-
Mancinelli, R.; Botti, A.; Bruni, F.; Ricci, M. A.; Soper, A. K. Phys. Chem. Chem. Phys. 2007, 9, 2959.
-
(2007)
Phys. Chem. Chem. Phys
, vol.9
, pp. 2959
-
-
Mancinelli, R.1
Botti, A.2
Bruni, F.3
Ricci, M.A.4
Soper, A.K.5
-
26
-
-
36749086935
-
-
Holzmann, J.; Ludwig, R.; Geiger, A.; Paschek, D. Angew. Chem. Int. 2007, 46, 8907.
-
(2007)
Angew. Chem. Int
, vol.46
, pp. 8907
-
-
Holzmann, J.1
Ludwig, R.2
Geiger, A.3
Paschek, D.4
-
29
-
-
0000123176
-
-
(a) Onsager, L. Z. Phys. 1927, 28, 277.
-
(1927)
Z. Phys
, vol.28
, pp. 277
-
-
Onsager, L.1
-
30
-
-
84906404085
-
-
SoperA. K., In Proceedings of the Conference on Advanced Neutron Sources; Hyer, D. K.; Institute of Physics and Physical Society: London, 1989; p 353; IOP Conf. Proc. no. 97. Detailed information on the SANDALS diffractometer can be also found at the web site: www.isis.rl.ac.uk.
-
(b) SoperA. K., In Proceedings of the Conference on Advanced Neutron Sources; Hyer, D. K.; Institute of Physics and Physical Society: London, 1989; p 353; IOP Conf. Proc. no. 97. Detailed information on the SANDALS diffractometer can be also found at the web site: www.isis.rl.ac.uk.
-
-
-
-
31
-
-
84906361188
-
-
www.isis.rl.ac.uk.
-
-
-
-
32
-
-
84906404086
-
-
HCl/DCl 37% wt in H2O or D2O, respectively; HBr 48% wt in H2O; DBr 47% wt in D2O; from Sigma Aldrich.
-
HCl/DCl 37% wt in H2O or D2O, respectively; HBr 48% wt in H2O; DBr 47% wt in D2O; from Sigma Aldrich.
-
-
-
-
33
-
-
84906389324
-
-
see
-
see: www.isis.rl.ac.uk/disordered/Sandals/ATLAS manual DTB. pdf.
-
-
-
-
36
-
-
1242346370
-
-
Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
-
(1987)
J. Phys. Chem
, vol.91
, pp. 6269
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straatsma, T.P.3
-
39
-
-
65249175380
-
-
in press
-
Bernabei, M.; Botti, A.; Bruni, F.; Ricci, M. A.; Soper, A. K. Phys. Rev. E 2008, in press.
-
(2008)
Phys. Rev. E
-
-
Bernabei, M.1
Botti, A.2
Bruni, F.3
Ricci, M.A.4
Soper, A.K.5
-
41
-
-
0037120849
-
-
Hribar, B.; Southall, N. T.; Vlachy, V.; Dill, K. A. J. Am. Chem. Soc. 2002, 124, 12302.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 12302
-
-
Hribar, B.1
Southall, N.T.2
Vlachy, V.3
Dill, K.A.4
-
42
-
-
84912477845
-
-
Powles, J. G.; Oran, E. K.; Dore, J. C.; Chieux, P. Mol. Phys. 1981, 43, 1051.
-
(1981)
Mol. Phys
, vol.43
, pp. 1051
-
-
Powles, J.G.1
Oran, E.K.2
Dore, J.C.3
Chieux, P.4
-
43
-
-
0008044945
-
-
Andreani, C.; Menzinger, F.; Ricci, M. A.; Soper, A. K.; Dreyer, J. Phys. Rev. B 1994, 49, 3811.
-
(1994)
Phys. Rev. B
, vol.49
, pp. 3811
-
-
Andreani, C.1
Menzinger, F.2
Ricci, M.A.3
Soper, A.K.4
Dreyer, J.5
-
44
-
-
37248998947
-
-
Mancinelli, R.; Botti, A.; Bruni, F.; Ricci, M. A.; Soper, A. K. J. Phys. Chem. B 2007, 111, 13570.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 13570
-
-
Mancinelli, R.1
Botti, A.2
Bruni, F.3
Ricci, M.A.4
Soper, A.K.5
-
49
-
-
36549096025
-
-
Blumberg, R. L.; Stanley, H. E.; Geiger, A.; Mausbach, P. J. Chem. Phys. 1984, 80, 5230.
-
(1984)
J. Chem. Phys
, vol.80
, pp. 5230
-
-
Blumberg, R.L.1
Stanley, H.E.2
Geiger, A.3
Mausbach, P.4
-
50
-
-
84906361189
-
-
Two molecules are considered as H-bonded when the distance of a proton on one molecule to the oxygen of another is less than or equal to the position of the first minimum of the g OwHwr
-
Two molecules are considered as H-bonded when the distance of a proton on one molecule to the oxygen of another is less than or equal to the position of the first minimum of the g OwHw(r ).
-
-
-
-
51
-
-
0003998388
-
-
82nd ed, Lide, R, Ed, CRC Press: Boca Raton, FL
-
CRC Handbook of Chemistry and Physics, 82nd ed.; Lide, R., Ed.; CRC Press: Boca Raton, FL, 2001-2002.
-
(2001)
CRC Handbook of Chemistry and Physics
-
-
|