-
1
-
-
6744229784
-
-
U. Landman, R.N. Barnett, A.G. Scherbakov and P. Avouris, Phys Rev Lett 85 (2000), 1958.
-
(2000)
Phys Rev Lett
, vol.85
, pp. 1958
-
-
Landman, U.1
Barnett, R.N.2
Scherbakov, A.G.3
Avouris, P.4
-
2
-
-
0029959624
-
-
K.D. Hirschman, L. Tsybeskov, S.P. Duttagupta and P.M. Fauchet, Nature (London) 384 (1996), 338.
-
(1996)
Nature (London
, vol.384
, pp. 338
-
-
Hirschman, K.D.1
Tsybeskov, L.2
Duttagupta, S.P.3
Fauchet, P.M.4
-
3
-
-
0032537772
-
-
S.Y. Lin, J.G. Fleming, D.L. Hetherington, B.K. Smith, R. Biswas, K.M. Ho, M.M. Sigalas, W. Zubrzycki, S.R. Kurtz and J. Bur, Nature (London) 394 (1998), 251.
-
(1998)
Nature (London
, vol.394
, pp. 251
-
-
Lin, S.Y.1
Fleming, J.G.2
Hetherington, D.L.3
Smith, B.K.4
Biswas, R.5
Ho, K.M.6
Sigalas, M.M.7
Zubrzycki, W.8
Kurtz, S.R.9
Bur, J.10
-
4
-
-
0032499194
-
-
K.M. Ho, A.A. Shavartsburg, B. Pan, Z.-Y. Lu, C.Z. Wang, J.G. Wacker, J.L. Fye and M.F. Jarrold, Nature (London) 392 (1998), 582.
-
(1998)
Nature London
, vol.392
, pp. 582
-
-
Ho, K.M.1
Shavartsburg, A.A.2
Pan, B.3
Lu, Z.-Y.4
Wang, C.Z.5
Wacker, J.G.6
Fye, J.L.7
Jarrold, M.F.8
-
6
-
-
0000633023
-
-
B. Liu, Z.Y. Lu, B. Pan, C.Z.W. Ang, K.M. Ho, A.A. Shavartsburg and M.F.J. arrold, J Chem Phys 109 (1998), 9401.
-
(1998)
J Chem Phys
, vol.109
, pp. 9401
-
-
Liu, B.1
Lu, Z.Y.2
Pan, B.3
Ang, C.Z.W.4
Ho, K.M.5
Shavartsburg, A.A.6
Arrold, M.F.J.7
-
8
-
-
4544253366
-
-
Q. Sun, Q. Wang, P. Jena, S. Warterman and Y. Kawazoe, Phys Rev A 67 (2003), 063201.
-
(2003)
Phys Rev A
, vol.67
, pp. 063201
-
-
Sun, Q.1
Wang, Q.2
Jena, P.3
Warterman, S.4
Kawazoe, Y.5
-
12
-
-
84948650567
-
-
Cambridge database
-
Cambridge database, http://www-wales.ch.cam.ac.uk/CCD.html.
-
-
-
-
14
-
-
0030259858
-
-
J.A. Becker S. Schlecht, R. Schäfer, J. Woenckhaus and F. Hensel, Mater Sci Eng A 217/218 (1996), 1.
-
(1996)
Mater Sci Eng A
, vol.1
, pp. 217-218
-
-
Becker, S.1
Schlecht, J.A.2
Schäfer, R.3
Woenckhaus, J.4
Hensel, F.5
-
18
-
-
0037536988
-
-
R. Schäfer, J. Schletcht, J. Woenckhaus and J.A. Becker, Phys Rev Lett 76 (1996), 471.
-
(1996)
Phys Rev Lett
, vol.76
, pp. 471
-
-
Schäfer, R.1
Schletcht, J.2
Woenckhaus, J.3
Becker, J.A.4
-
19
-
-
0037421063
-
-
J. Wang, M. Yang, G. Wang and J. Zhan, Chem Phys Lett 367 (2003), 448.
-
(2003)
Chem Phys Lett
, vol.367
, pp. 448
-
-
Wang, J.1
Yang, M.2
Wang, G.3
Zhan, J.4
-
21
-
-
18444367396
-
-
K.A. Jackson, M. Yang, I. Chaudhuri and Th. Frauenheim, Phys Rev A 71 (2005), 033205.
-
(2005)
Phys Rev A
, vol.71
, pp. 033205
-
-
Jackson, K.A.1
Yang, M.2
Chaudhuri, I.3
Frauenheim, T.4
-
25
-
-
0031373734
-
-
A. Sieck, D. Porezag, Th. Frauenheim, M.R. Pederson and K. Jackson, Phys Rev A 56 (1997), 4890.
-
(1997)
Phys Rev A
, vol.56
, pp. 4890
-
-
Sieck, A.1
Porezag, D.2
Frauenheim, Th.3
Pederson, M.R.4
Jackson, K.5
-
26
-
-
0001723837
-
-
T.N. Kitsopoulos, C.J. Chick, A. Weaver and D.M. Neumark, J Chem Phys 93 (1990), 6108.
-
(1990)
J Chem Phys
, vol.93
, pp. 6108
-
-
Kitsopoulos, T.N.1
Chick, C.J.2
Weaver, A.3
Neumark, D.M.4
-
29
-
-
84948707624
-
-
Kluwer, Dordrecht, S.R. Langoff, ed
-
K. Raghavachari and L.A. Curtiss, in: Kluwer, Dordrecht, S.R. Langoff, ed., 1995, pp. 173-207
-
(1995)
, pp. 173-207
-
-
Raghavachari, K.1
Curtiss, L.A.2
-
31
-
-
5644285793
-
-
S. Li, R.J. Van Zee, W. Weltner, Jr. and K. Raghavachari, Chem Phys Letters 243 (1995), 275.
-
(1995)
Chem Phys Letters
, vol.243
, pp. 275
-
-
Li, S.1
Van Zee, R.J.2
Weltner, Jr.W.3
Raghavachari, K.4
-
33
-
-
0027908741
-
-
E. Honea, A. Ogura, C. Murray, K. Raghavachari, W. Sprenger, M. Jarrold and W. Brown, Nature 366 (1993), 42.
-
(1993)
Nature
, vol.366
, pp. 42
-
-
Honea, E.1
Ogura, A.2
Murray, C.3
Raghavachari, K.4
Sprenger, W.5
Jarrold, M.6
Brown, W.7
-
44
-
-
3442893552
-
-
K.A. Jackson, M. Horioi, I. Chaudhuri, T. Frauenheim and A.A. Shvartsburg, Phys Rev Lett 93 (2004), 13401.
-
(2004)
Phys Rev Lett
, vol.93
, pp. 13401
-
-
Jackson, K.A.1
Horioi, M.2
Chaudhuri, I.3
Frauenheim, T.4
Shvartsburg, A.A.5
-
46
-
-
0003079156
-
-
D. Porezag, Th. Frauenheim, Th. Köhler, G. Seifert and R. Kaschner, Phys Rev B 12 (1995), 947.
-
(1995)
Phys Rev B
, vol.12
, pp. 947
-
-
Porezag, D.1
Frauenheim, Th.2
Köhler, Th.3
Seifert, G.4
Kaschner, R.5
-
49
-
-
23044529821
-
-
M.A. Hoffmann, G. Wrigge, B.v. Issendorff, J. Müller, G. Ganteför and H. Haberland, Eur Pys J D 16 (2001), 9.
-
(2001)
Eur Pys J D
, vol.16
, pp. 9
-
-
Hoffmann, M.A.1
Wrigge, G.2
Issendorff, B.V.3
Müller, J.4
Ganteför, G.5
Haberland, H.6
-
50
-
-
28444499283
-
-
K.A. Jackson, M. Horoi, I. Chaudhuri, T. Frauenheim and A.A. Shvartsburg, Comp Mater Sci 35 (2006), 232.
-
(2006)
Comp Mater Sci
, vol.35
, pp. 232
-
-
Jackson, K.A.1
Horoi, M.2
Chaudhuri, I.3
Frauenheim, T.4
Shvartsburg, A.A.5
-
51
-
-
67649639260
-
-
C.L. Bris, ed. Elsevier, Amsterdam
-
J.R. Chelikowsky, L. Kronik, I. Vasiliev, M. Jain and Y. Saad, in: Handbook of Numerical Analysis, (Vol. X), C.L. Bris, ed., Elsevier, Amsterdam, 2003, pp. 613-637.
-
(2003)
Handbook of Numerical Analysis
, vol.10
, pp. 613-637
-
-
Chelikowsky, J.R.1
Kronik, L.2
Vasiliev, I.3
Jain, M.4
Saad, Y.5
-
53
-
-
3442893552
-
-
K.A. Jackson, M. Horoi, I. Chaudhuri, T. Frauenheim and A.A. Shvartsburg, Phys Rev Lett 93 (2004), 013401.
-
(2004)
Phys Rev Lett
, vol.93
, pp. 013401
-
-
Jackson, K.A.1
Horoi, M.2
Chaudhuri, I.3
Frauenheim, T.4
Shvartsburg, A.A.5
-
54
-
-
28444499283
-
-
232 Phys Rev Lett 93
-
K.A. Jackson, M. Horoi,I. Chaudhuri, T. Frauenheim and A.A. Shvartsburg, Comp Mater Sci 35 (2006), 232; Phys Rev Lett 93 (2004), 013401.
-
(2006)
Comp Mater Sci
, vol.35
, pp. 013401
-
-
Jackson, K.A.1
Horoii. Chaudhuri, M.2
Frauenheim, T.3
Shvartsburg, A.A.4
-
57
-
-
0000713318
-
-
P.G. Collins, J.C. Grossman, M. Ct, M. Ishigami, C. Piskoti, S.G. Louie, M.L. Cohen and A. Zettl, Phys Rev Lett 82 (1999), 165.
-
(1999)
Phys Rev Lett
, vol.82
, pp. 165
-
-
Collins, P.G.1
Grossman, J.C.2
Ct, M.3
Ishigami, M.4
Piskoti, C.5
Louie, S.G.6
Cohen, M.L.7
Zettl, A.8
-
58
-
-
23244460838
-
-
J.P. Perdew, J.A. Chevary, K. A. Jackson, S.H. Voksko, M.R. Pedersen, D.J. Singh and C. Fiolhais, Phys Rev B 46 (1992), 6671.
-
(1992)
Phys Rev B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Jackson, K.A.3
Voksko, S.H.4
Pedersen, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
60
-
-
20044380042
-
-
J. Wang, X. Zhou, G. Wang and J. Zhao, Phys Rev B 71 (2005), 113412.
-
(2005)
Phys Rev B
, vol.71
, pp. 113412
-
-
Wang, J.1
Zhou, X.2
Wang, G.3
Zhao, J.4
-
63
-
-
0242267605
-
-
S. Yoo, X. Zhou, X. Zhu and J. Bai, J Am Chem Phys 125 (2003), 13318.
-
(2003)
J Am Chem Phys
, vol.125
, pp. 13318
-
-
Yoo, S.1
Zhou, X.2
Zhu, X.3
Bai, J.4
-
69
-
-
0037461482
-
-
V.E. Bazterra, M.C. Caputo, M.B. Ferraro and P. Fuentealba, J Chem Phys 117(24) (2002), 11158.
-
(2002)
J Chem Phys
, vol.117
, Issue.24
, pp. 11158
-
-
Bazterra, V.E.1
Caputo, M.C.2
Ferraro, M.B.3
Fuentealba, P.4
-
73
-
-
3042752563
-
-
V E. Bazterra, O. Ona, M.C. Caputo, M.B. Ferraro, P. Fuentealba and J.C. Facelli, Phys Rev A 69 (2004), 53202.
-
(2004)
Phys Rev A
, vol.69
, pp. 53202
-
-
Bazterra, V.E.1
Ona, O.2
Caputo, M.C.3
Ferraro, M.B.4
Fuentealba, P.5
Facelli, J.C.6
-
74
-
-
0001272582
-
-
B. Ahlswede and K. Jug, J Comp Chem 20 (1999), 563; B. Ahlswede and K. Jug, J Comp Chem 20 (1999), 572
-
(1999)
J Comp Chem
, vol.20
, pp. 563
-
-
Ahlswede, B.1
Jug, K.2
-
79
-
-
11444255558
-
-
V.E. Bazterra, M. Cuma, M.B. Ferraro and J.C. Facelli, J of Parallel and Distrib Comput 65 (2005), 48.
-
(2005)
J of Parallel and Distrib Comput
, vol.65
, pp. 48
-
-
Bazterra, V.E.1
Cuma, M.2
Ferraro, M.B.3
Facelli, J.C.4
-
82
-
-
33646947870
-
-
O. Ona, V.E. Bazterra, M. Caputo, P. Fuentealba, J. Facelli and M.B. Ferraro, Phys. Rev A 73 (2006), 053203.
-
(2006)
Phys. Rev A
, vol.73
, pp. 053203
-
-
Ona, O.1
Bazterra, V.E.2
Caputo, M.3
Fuentealba, P.4
Facelli, J.5
Ferraro, M.B.6
-
83
-
-
4243772125
-
-
Q. Sun, Q. Wang, P. Jena, S. Warterman and Y. Kawazoe, Phys Rev Lett 90 (2003), 135503.
-
(2003)
Phys Rev Lett
, vol.90
, pp. 135503
-
-
Sun, Q.1
Wang, Q.2
Jena, P.3
Warterman, S.4
Kawazoe, Y.5
-
84
-
-
0000593669
-
-
K. Jackson, M.R. Pederson, D. Porezag, Z. Hajnal and T. Frauenheim, Phys Rev B 55 (1997), 2549.
-
(1997)
Phys Rev B
, vol.55
, pp. 2549
-
-
Jackson, K.1
Pederson, M.R.2
Porezag, D.3
Hajnal, Z.4
Frauenheim, T.5
-
85
-
-
18444367396
-
-
K.A. Jackson, M. Yang, I. Chaudhuri and F.T. Phys, Rev A 71 (2005), 033205.
-
(2005)
Rev A
, vol.71
, pp. 033205
-
-
Jackson, K.A.1
Yang, M.2
Chaudhuri, I.3
Phys, F.T.4
-
86
-
-
33646947870
-
-
O.Ona, V.E.B. Azterra, M.C. Caputo, J.C. Facelli, P. Fuentealba and M.B. Ferraro, Phys Rev A 73 (2006), 53203.
-
(2006)
Phys Rev A
, vol.73
, pp. 53203
-
-
Azterra, V.E.B.1
Caputo, M.C.2
Facelli, J.C.3
Fuentealba, P.4
Ferraro, M.B.5
-
87
-
-
6444231032
-
-
S. Yoo, J. Zhao, J. Wang and X.C. Zeng, J Am Chem Phys 126 (2004), 13845.
-
(2004)
J Am Chem Phys
, vol.126
, pp. 13845
-
-
Yoo, S.1
Zhao, J.2
Wang, J.3
Zeng, X.C.4
-
90
-
-
84948691633
-
-
Michele Parrinello, Jurg Hutter, D. Marx, P. Focher, M. Tuckerman,W. Andreoni, A. Curioni, E. Fois, U. Roetlisberger, P. Giannozzi, T. Deutsch, A. Alavi, D. Sebastiani, A. Laio, J. VandeVondele, A. Seitsonen, S. Billeter and others, Car-Parinello Molecular Dynamics CPMD is copyrighted by IBM Corp and MPI Stuttgart, 1993-2006.
-
(1993)
Car-Parinello Molecular Dynamics CPMD Is Copyrighted by IBM Corp and MPI Stuttgart
-
-
Parrinello, M.1
Hutter, J.2
Marx, D.3
Focher, P.4
Tuckermanw. Andreoni, M.5
Curioni, A.6
Fois, E.7
Roetlisberger, U.8
Giannozzi, P.9
Deutsch, T.10
Alavi, A.11
Sebastiani, D.12
Laio, A.13
VandeVondele, J.14
Seitsonen, A.15
Billeter, S.16
-
91
-
-
33745131375
-
-
J.Z. Li Ma, Jianguang Wang, Baolin Wang, and Guanghou Wang, Phys Rev A 73 (2006), 063203.
-
(2006)
Phys Rev A
, vol.73
, pp. 063203
-
-
Li Ma, J.Z.1
Wang, J.2
Wang, B.3
Wang, G.4
-
92
-
-
0037171005
-
-
M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark and M.C. Payne, J Phys Condensed Matter 14 (2002), 2717.
-
(2002)
J Phys Condensed Matter
, vol.14
, pp. 2717
-
-
Segall, M.D.1
Lindan, P.J.D.2
Probert, M.J.3
Pickard, C.J.4
Hasnip, P.J.5
Clark, S.J.6
Payne, M.C.7
-
95
-
-
0031373734
-
-
A. Sieck, D. Porezag, T. Frauenheim, M.R. Pederson and K. Jackson, Phys Rev A 56(6) (1997), 4890.
-
(1997)
Phys Rev A
, vol.56
, Issue.6
, pp. 4890
-
-
Sieck, A.1
Porezag, D.2
Frauenheim, T.3
Pederson, M.R.4
Jackson, K.5
-
96
-
-
0000078002
-
-
M.R. Pederson, K. Jackson, D. Porezag, D. Hajnal and Th. Frauenheim, Phys Rev B 54 (1996), 2863.
-
(1996)
Phys Rev B
, vol.54
, pp. 2863
-
-
Pederson, M.R.1
Jackson, K.2
Porezag, D.3
Hajnal, D.4
Frauenheim, T.5
-
97
-
-
0342955677
-
-
K. Deng, J. Yang, L. Yuan and Q. Zhu, Phys Rev A 62 (2000), 045201.
-
(2000)
Phys Rev A
, vol.62
, pp. 045201
-
-
Deng, K.1
Yang, J.2
Yuan, L.3
Zhu, Q.4
-
99
-
-
0000633023
-
-
B. Liu, Z.Y. Lu, B. Pan, C.Z. Wang, K.M. Ho, A.A. Shvartsburg and M.F. Jarrold, J Chem Phys 109 (1998), 9401.
-
(1998)
J Chem Phys
, vol.109
, pp. 9401
-
-
Liu, B.1
Lu, Z.Y.2
Pan, B.3
Wang, C.Z.4
Ho, K.M.5
Shvartsburg, A.A.6
Jarrold, M.F.7
-
100
-
-
29744454513
-
-
Z.M. Khakimov, P.L. Tereshchuk, N.T. Sulaymanov, F.T. Umarova and M.T. Swihart, Phys Rev B 72 (2005), 115335.
-
(2005)
Phys Rev B
, vol.72
, pp. 115335
-
-
Khakimov, Z.M.1
Tereshchuk, P.L.2
Sulaymanov, N.T.3
Umarova, F.T.4
Swihart, M.T.5
-
101
-
-
34547236795
-
-
S. Yoo, N. Shao, C. Koehler, T. Frauunham and X.C. Zeng, J Chem Phys 124 (2006), 164311.
-
(2006)
J Chem Phys
, vol.124
, pp. 164311
-
-
Yoo, S.1
Shao, N.2
Koehler, C.3
Frauunham, T.4
Zeng, X.C.5
-
102
-
-
32144441577
-
-
J. Bai, L. Cui, J. Wang, S. Yoo, X. Li, J. Jellimek, C. Koehler, T. Frauenheim, L. Wang and X.C. Zeng, J Phys Chem A 110 (2006), 908.
-
(2006)
J Phys Chem A
, vol.110
, pp. 908
-
-
Bai, J.1
Cui, L.2
Wang, J.3
Yoo, S.4
Li, X.5
Jellimek, J.6
Koehler, C.7
Frauenheim, T.8
Wang, L.9
Zeng, X.C.10
-
103
-
-
85034925997
-
-
J.L. Elkind, J.M. Alford, F.D. Weiss, R.T. Laaksonen and R.E. Smalley, J Chem Phys 87 (1987), 2397
-
(1987)
J Chem Phys
, vol.87
, pp. 2397
-
-
Elkind, J.L.1
Alford, J.M.2
Weiss, F.D.3
Laaksonen, R.T.4
Smalley, R.E.5
-
104
-
-
36549100360
-
-
Q.L. Zhang, Y. Liu, R.F. Curl, F.K. Tittel and R.E. Smalley, J Chem Phys 88 (1988), 1670.
-
(1988)
J Chem Phys
, vol.88
, pp. 1670
-
-
Zhang, Q.L.1
Liu, Y.2
Curl, R.F.3
Tittel, F.K.4
Smalley, R.E.5
-
108
-
-
0006838610
-
-
D. Sánchez-Portal, P. Ordejón, E. Artacho and J.M. Soler, Int J Quantum Chem 65 (1997), 453
-
(1997)
Int J Quantum Chem
, vol.65
, pp. 453
-
-
Sánchez-Portal, D.1
Ordejón, P.2
Artacho, E.3
Soler, J.M.4
-
111
-
-
0000346827
-
-
A. Shvartsburg, M.F. Jarrold, B. Liu, Z.Y. Lu, C.Z. Wang and K.M. Ho, Phys Rev Lett 81 (1998), 4616.
-
(1998)
Phys Rev Lett
, vol.81
, pp. 4616
-
-
Shvartsburg, A.1
Jarrold, M.F.2
Liu, B.3
Lu, Z.Y.4
Wang, C.Z.5
Ho, K.M.6
-
112
-
-
0001180236
-
-
G.L. Mitas, J.C. Grossman, I. Stich and J. Tobik, Phys Rev Lett 84 (2000), 1479.
-
(2000)
Phys Rev Lett
, vol.84
, pp. 1479
-
-
Mitas, G.L.1
Grossman, J.C.2
Stich, I.3
Tobik, J.4
-
122
-
-
0000802499
-
-
K. Jackson, M. Pederson, C.-Z. Wang and K.-M. Ho, Phys Rev A 59(5) (1999), 3685.
-
(1999)
Phys Rev A
, vol.59
, Issue.5
, pp. 3685
-
-
Jackson, K.1
Pederson, M.2
Wang, C.-Z.3
Ho, K.-M.4
-
123
-
-
85034564683
-
-
E; Phys Rev Lett 77 1996, 247
-
A. Rubio, J.A. Alonso, X. Blase, L.C. Balbás and S.G. Louie, Phys Rev Lett 77 (1996), 5442E; Phys Rev Lett 77 (1996), 247.
-
(1996)
Phys Rev Lett
, vol.77
, pp. 5442
-
-
Rubio, A.1
Alonso, J.A.2
Blase, X.3
Balbás, L.C.4
Louie, S.G.5
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