-
1
-
-
84895467742
-
-
10.1038/ngeo2074
-
M. Nishi, T. Irifune, J. Tsuchiya, Y. Tange, Y. Nishihara, K. Fujino, and Y. Higo, Nat. Geosci. 7, 224 (2014). 10.1038/ngeo2074
-
(2014)
Nat. Geosci.
, vol.7
, pp. 224
-
-
Nishi, M.1
Irifune, T.2
Tsuchiya, J.3
Tange, Y.4
Nishihara, Y.5
Fujino, K.6
Higo, Y.7
-
2
-
-
77954785274
-
-
10.1103/PhysRevB.81.014109
-
Y. Katayama, T. Hattori, H. Saitoh, T. Ikeda, K. Aoki, and K. Funakoshi, Phys. Rev. B 81, 014109 (2010). 10.1103/PhysRevB.81.014109
-
(2010)
Phys. Rev. B
, vol.81
, pp. 014109
-
-
Katayama, Y.1
Hattori, T.2
Saitoh, H.3
Ikeda, T.4
Aoki, K.5
Funakoshi, K.6
-
3
-
-
77950414220
-
-
10.1063/1.3374812
-
T. Ikeda, Y. Katayama, H. Saitoh, and K. Aoki, J. Chem. Phys. 132, 121102 (2010). 10.1063/1.3374812
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 121102
-
-
Ikeda, T.1
Katayama, Y.2
Saitoh, H.3
Aoki, K.4
-
6
-
-
12044256522
-
-
10.1103/RevModPhys.66.899
-
R. Resta, Rev. Mod. Phys. 66, 899 (1994). 10.1103/RevModPhys.66.899
-
(1994)
Rev. Mod. Phys.
, vol.66
, pp. 899
-
-
Resta, R.1
-
9
-
-
0003597704
-
-
2nd ed. (Academic Press, New York)
-
J. R. Ferraro, K. Nakamoto, and C. W. Brown, Introductory Raman Spectroscopy, 2nd ed. (Academic Press, New York, 2002).
-
(2002)
Introductory Raman Spectroscopy
-
-
Ferraro, J.R.1
Nakamoto, K.2
Brown, C.W.3
-
13
-
-
0000387156
-
-
10.1016/S0009-2614(01)00735-7
-
F. C. Lightstone, E. Schwegler, R. Q. Hood, F. Gygi, and G. Galli, Chem. Phys. Lett. 343, 549 (2001). 10.1016/S0009-2614(01)00735-7
-
(2001)
Chem. Phys. Lett.
, vol.343
, pp. 549
-
-
Lightstone, F.C.1
Schwegler, E.2
Hood, R.Q.3
Gygi, F.4
Galli, G.5
-
14
-
-
0035424057
-
-
10.1063/1.1379767
-
M. Boero, K. Terakura, T. Ikeshoji, C. C. Liew, and M. Parrinello, J. Chem. Phys. 115, 2219 (2001). 10.1063/1.1379767
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2219
-
-
Boero, M.1
Terakura, K.2
Ikeshoji, T.3
Liew, C.C.4
Parrinello, M.5
-
16
-
-
84867787626
-
-
10.1063/1.4742151
-
T. Ikeda and M. Boero, J. Chem. Phys. 137, 041101 (2012). 10.1063/1.4742151
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 041101
-
-
Ikeda, T.1
Boero, M.2
-
17
-
-
10644250257
-
-
10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
-
(1964)
Phys. Rev.
, vol.136
-
-
Hohenberg, P.1
Kohn, W.2
-
18
-
-
0042113153
-
-
10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
-
-
Kohn, W.1
Sham, L.J.2
-
19
-
-
84905659241
-
-
IBM Corp, 1990-2008, MPI für Festkörperforshung Stuttgart, 1997-2001
-
CPMD, IBM Corp, 1990-2008, MPI für Festkörperforshung Stuttgart, 1997-2001. See http://www.cpmd.org.
-
-
-
-
20
-
-
4243553426
-
-
10.1103/PhysRevA.38.3098
-
A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
22
-
-
33750559983
-
-
10.1002/jcc.20495
-
S. Grimme, J. Comput. Chem. 27, 1787 (2006). 10.1002/jcc.20495
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 1787
-
-
Grimme, S.1
-
23
-
-
0942288567
-
-
10.1063/1.1630560
-
J. C. Grossman, E. Schwegler, E. W. Draeger, F. Gygi, and G. Galli, J. Chem. Phys. 120, 300 (2004). 10.1063/1.1630560
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 300
-
-
Grossman, J.C.1
Schwegler, E.2
Draeger, E.W.3
Gygi, F.4
Galli, G.5
-
24
-
-
4944230287
-
-
10.1063/1.1782074
-
E. Schwegler, J. C. Grossman, F. Gygi, and G. Galli, J. Chem. Phys. 121, 5400 (2004). 10.1063/1.1782074
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 5400
-
-
Schwegler, E.1
Grossman, J.C.2
Gygi, F.3
Galli, G.4
-
26
-
-
26544447599
-
-
10.1063/1.465574
-
K. Laasonen, M. Sprik, M. Parrinello, and R. Car, J. Chem. Phys. 99, 9080 (1993). 10.1063/1.465574
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 9080
-
-
Laasonen, K.1
Sprik, M.2
Parrinello, M.3
Car, R.4
-
28
-
-
80054005282
-
-
10.1021/ct200329e
-
C. Zhang, J. Wu, G. Galli, and F. Gygi, J. Chem. Theory Comput. 7, 3054 (2011). 10.1021/ct200329e
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 3054
-
-
Zhang, C.1
Wu, J.2
Galli, G.3
Gygi, F.4
-
30
-
-
36849096816
-
-
10.1063/1.1680328
-
S. A. Clough, Y. Beers, G. P. Klein, and L. S. Rothman, J. Chem. Phys. 59, 2254 (1973). 10.1063/1.1680328
-
(1973)
J. Chem. Phys.
, vol.59
, pp. 2254
-
-
Clough, S.A.1
Beers, Y.2
Klein, G.P.3
Rothman, L.S.4
-
33
-
-
34547809547
-
-
10.1063/1.447334
-
S. Nosé, J. Chem. Phys. 81, 511 (1984). 10.1063/1.447334
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 511
-
-
Nosé, S.1
-
34
-
-
0001538909
-
-
10.1103/PhysRevA.31.1695
-
W. G. Hoover, Phys. Rev. A 31, 1695 (1985). 10.1103/PhysRevA.31.1695
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695
-
-
Hoover, W.G.1
-
35
-
-
0034662899
-
-
10.1016/S0301-0104(00)00179-8
-
A. K. Soper, Chem. Phys. 258, 121 (2000). 10.1016/S0301-0104(00)00179-8
-
(2000)
Chem. Phys.
, vol.258
, pp. 121
-
-
Soper, A.K.1
-
37
-
-
0030204999
-
-
10.1366/0003702963905385
-
J. E. Bertie and Z. Lan, Appl. Spectrosc. 50, 1047 (1996). 10.1366/0003702963905385
-
(1996)
Appl. Spectrosc.
, vol.50
, pp. 1047
-
-
Bertie, J.E.1
Lan, Z.2
-
39
-
-
0000729566
-
-
10.1063/1.479420
-
T. Ikeda, M. Sprik, K. Terakura, and M. Parrinello, J. Chem. Phys. 111, 1595 (1999). 10.1063/1.479420
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 1595
-
-
Ikeda, T.1
Sprik, M.2
Terakura, K.3
Parrinello, M.4
-
42
-
-
84885155303
-
-
10.1021/jz401321x
-
C. Zhang, R. Z. Khaliullin, D. Bovi, L. Guidoni, and T. D. Kuhne, J. Phys. Chem. Lett. 4, 3245 (2013). 10.1021/jz401321x
-
(2013)
J. Phys. Chem. Lett.
, vol.4
, pp. 3245
-
-
Zhang, C.1
Khaliullin, R.Z.2
Bovi, D.3
Guidoni, L.4
Kuhne, T.D.5
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