-
1
-
-
34547492300
-
-
NMAACR 1476-1122
-
A. Kasuya, R. Sivamohan, Y. A. Barnakov, I. M. Dmitruk, T. Nirasawa, V. R. Romanyuk, V. Kumar, S. V. Mamykin, K. Tohji, B. Jeyadevan, K. Shinoda, T. Kudo, O. Terasaki, Z. Liu, R. V. Belosludov, V. Sundararajan, and Y. Kawazoe, Nat. Mater. NMAACR 1476-1122 3, 101 (2004).
-
(2004)
Nat. Mater.
, vol.3
, pp. 101
-
-
Kasuya, A.1
Sivamohan, R.2
Barnakov, Y.A.3
Dmitruk, I.M.4
Nirasawa, T.5
Romanyuk, V.R.6
Kumar, V.7
Mamykin, S.V.8
Tohji, K.9
Jeyadevan, B.10
Shinoda, K.11
Kudo, T.12
Terasaki, O.13
Liu, Z.14
Belosludov, R.V.15
Sundararajan, V.16
Kawazoe, Y.17
-
2
-
-
19544393728
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.93.095503
-
R. Q. Zhang, M. W. Zhao, and S. T. Lee, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.095503 93, 095503 (2004).
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 095503
-
-
Zhang, R.Q.1
Zhao, M.W.2
Lee, S.T.3
-
3
-
-
33745666779
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.96.255701
-
M. Grünwald, E. Rabani, and C. Dellago, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.255701 96, 255701 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 255701
-
-
Grünwald, M.1
Rabani, E.2
Dellago, C.3
-
4
-
-
0345966920
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.67.161403
-
F. Calvo, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.161403 67, 161403 (R) (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 161403
-
-
Calvo, F.1
-
5
-
-
0038713794
-
-
JACSAT 0002-7863 10.1021/ja035096m
-
X. Zhong, M. Han, Z. Dong, T. J. White, and W. Knoll, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja035096m 125, 8589 (2003).
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 8589
-
-
Zhong, X.1
Han, M.2
Dong, Z.3
White, T.J.4
Knoll, W.5
-
6
-
-
0242362230
-
-
JACSAT 0002-7863 10.1021/ja036683a
-
X. Zhong, Y. Feng, W. Knoll, and M. Han, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja036683a 125, 13559 (2003).
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 13559
-
-
Zhong, X.1
Feng, Y.2
Knoll, W.3
Han, M.4
-
7
-
-
0036469182
-
-
CUOBE3 0958-1669 10.1016/S0958-1669(02)00282-3
-
W. C. W. Chan, D. J. Maxwell, X. Gao, R. E. Bailey, M. Han, and S. Nie, Curr. Opin. Biotechnol. CUOBE3 0958-1669 10.1016/S0958-1669(02)00282-3 13, 40 (2002).
-
(2002)
Curr. Opin. Biotechnol.
, vol.13
, pp. 40
-
-
Chan, W.C.W.1
Maxwell, D.J.2
Gao, X.3
Bailey, R.E.4
Han, M.5
Nie, S.6
-
8
-
-
0003126485
-
-
CHPLBC 0009-2614 10.1016/0009-2614(90)85511-A
-
C. Jin, K. J. Taylor, J. Conceicao, and R. E. Smalley, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(90)85511-A 175, 17 (1990).
-
(1990)
Chem. Phys. Lett.
, vol.175
, pp. 17
-
-
Jin, C.1
Taylor, K.J.2
Conceicao, J.3
Smalley, R.E.4
-
9
-
-
36549100360
-
-
JCPSA6 0021-9606 10.1063/1.454145
-
Q.-L. Zhang, Y. Liu, R. F. Curl, F. K. Tittel, and R. E. Smalley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.454145 88, 1670 (1988).
-
(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
-
10
-
-
36549096028
-
-
JCPSA6 0021-9606 10.1063/1.451332
-
Y. Liu, Q.-L. Zhang, F. K. Tittel, R. F. Curl, and R. E. Smalley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.451332 85, 7434 (1986).
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 7434
-
-
Liu, Y.1
Zhang, Q.-L.2
Tittel, F.K.3
Curl, R.F.4
Smalley, R.E.5
-
11
-
-
0000319396
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(90)87123-9
-
L. Wang, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(90)87123-9 172, 335 (1990).
-
(1990)
Chem. Phys. Lett.
, vol.172
, pp. 335
-
-
Wang, L.1
-
12
-
-
0003126485
-
-
CHPLBC 0009-2614 10.1016/0009-2614(90)85511-A
-
C. Jin, K. J. Talyor, J. Conceicao, and R. E. Smalley, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(90)85511-A 175, 17 (1990).
-
(1990)
Chem. Phys. Lett.
, vol.175
, pp. 17
-
-
Jin, C.1
Talyor, K.J.2
Conceicao, J.3
Smalley, R.E.4
-
14
-
-
0001485863
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(00)00602-3
-
J.-Y. Yi, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(00)00602- 3 325, 269 (2000).
-
(2000)
Chem. Phys. Lett.
, vol.325
, pp. 269
-
-
Yi, J.-Y.1
-
15
-
-
0001039270
-
-
IJQCB2 0020-7608 10.1002/(SICI)1097-461X(2000)77:2<563::AID-QUA8>3. 0.CO;2-G
-
P. P. Korambath, B. K. Singaraju, and S. P. Karma, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/(SICI)1097-461X(2000)77:2<563::AID-QUA8>3.0.CO;2- G 77, 563 (2000).
-
(2000)
Int. J. Quantum Chem.
, vol.77
, pp. 563
-
-
Korambath, P.P.1
Singaraju, B.K.2
Karma, S.P.3
-
17
-
-
29144446132
-
-
PYLAAG 0375-9601 10.1016/j.physleta.2005.08.071
-
J. S. Yang, B. X. Li, and S. C. Zhan, Phys. Lett. A PYLAAG 0375-9601 10.1016/j.physleta.2005.08.071 348, 416 (2006).
-
(2006)
Phys. Lett. a
, vol.348
, pp. 416
-
-
Yang, J.S.1
Li, B.X.2
Zhan, S.C.3
-
18
-
-
0034670814
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.62.17138
-
W. Zhao, P. L. Cao, B. X. Li, B. Song, and H. Nakamatsu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.17138 62, 17138 (2000).
-
(2000)
Phys. Rev. B
, vol.62
, pp. 17138
-
-
Zhao, W.1
Cao, P.L.2
Li, B.X.3
Song, B.4
Nakamatsu, H.5
-
19
-
-
0005499356
-
-
PYLAAG 0375-9601 10.1016/S0375-9601(01)00540-0
-
W. Zhao and P. L. Cao, Phys. Lett. A PYLAAG 0375-9601 10.1016/S0375-9601(01)00540-0 288, 53 (2001).
-
(2001)
Phys. Lett. a
, vol.288
, pp. 53
-
-
Zhao, W.1
Cao, P.L.2
-
20
-
-
0037074398
-
-
JCOMEL 0953-8984 10.1088/0953-8984/14/1/304
-
W. Zhao and P. L. Cao, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/1/304 14, 33 (2002).
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 33
-
-
Zhao, W.1
Cao, P.L.2
-
21
-
-
29544439270
-
-
PYLAAG 0375-9601 10.1016/j.physleta.2005.08.055
-
W. Zhao, P. L. Cao, and W. H. Duan, Phys. Lett. A PYLAAG 0375-9601 10.1016/j.physleta.2005.08.055 349, 224 (2006).
-
(2006)
Phys. Lett. a
, vol.349
, pp. 224
-
-
Zhao, W.1
Cao, P.L.2
Duan, W.H.3
-
22
-
-
0000321170
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.60.2916
-
V. Kumar, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.2916 60, 2916 (1999).
-
(1999)
Phys. Rev. B
, vol.60
, pp. 2916
-
-
Kumar, V.1
-
23
-
-
33745966636
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.74.035319
-
J. J. Zhao, R.-H. Xie, X. L. Zhou, X. S. Chen, and W. Lu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.035319 74, 035319 (2006).
-
(2006)
Phys. Rev. B
, vol.74
, pp. 035319
-
-
Zhao, J.J.1
Xie, R.-H.2
Zhou, X.L.3
Chen, X.S.4
Lu, W.5
-
24
-
-
34547432100
-
-
M. J. Frisch, GAUSSIAN98, Revision A.1, Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
-
-
Frisch, M.J.1
-
25
-
-
36549091139
-
-
M. Frisch, JCPSA6 0021-9606 10.1063/1.447079
-
M. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.447079 80, 3265 (1984).
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Pople, J.A.1
Binkley, J.S.2
-
26
-
-
20544463457
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.41.7892
-
D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, R7892 (1990).
-
(1990)
Phys. Rev. B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
27
-
-
34250817103
-
-
JCPSA6 0021-9606 10.1063/1.464304
-
A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464304 98, 1372 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1372
-
-
Becke, A.D.1
-
28
-
-
0345491105
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.37.785
-
C. T. Lee, W. T. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
29
-
-
0030190741
-
-
CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0
-
G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996);
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15
-
-
Kresse, G.1
Furthmüller, J.2
-
30
-
-
2442537377
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmüller, J.2
-
31
-
-
0042113153
-
-
PRVAAH 0096-8250 10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
32
-
-
0242352656
-
-
JCPSA6 0021-9606 10.1063/1.1609399
-
V. Cocula, F. Starrost, S. C. Watson, and E. A. Carter, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1609399 119, 7659 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 7659
-
-
Cocula, V.1
Starrost, F.2
Watson, S.C.3
Carter, E.A.4
-
33
-
-
0001671054
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.51.4014
-
G. Makov and M. C. Payne, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.4014 51, 4014 (1995).
-
(1995)
Phys. Rev. B
, vol.51
, pp. 4014
-
-
Makov, G.1
Payne, M.C.2
-
35
-
-
0006940018
-
-
ZDACE2 0178-7683 10.1007/s004600050373
-
H. K. Quek, Y. P. Feng, and C. K. Ong, Z. Phys. D: At., Mol. Clusters ZDACE2 0178-7683 10.1007/s004600050373 42, 309 (1997).
-
(1997)
Z. Phys. D: At., Mol. Clusters
, vol.42
, pp. 309
-
-
Quek, H.K.1
Feng, Y.P.2
Ong, C.K.3
-
36
-
-
0000147927
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.59.14992
-
A. van de Walle and G. Ceder, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.14992 59, 14992 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 14992
-
-
Van De Walle, A.1
Ceder, G.2
-
37
-
-
34547418687
-
-
M.S. thesis, National University of Singapore
-
T. B. Boo, M.S. thesis, National University of Singapore, 2001.
-
(2001)
-
-
Boo, T.B.1
-
38
-
-
0010978054
-
-
PYLAAG 0375-9601 10.1016/0375-9601(92)90725-2
-
X. G. Gong and E. Tosatti, Phys. Lett. A PYLAAG 0375-9601 10.1016/0375-9601(92)90725-2 166, 369 (1992).
-
(1992)
Phys. Lett. a
, vol.166
, pp. 369
-
-
Gong, X.G.1
Tosatti, E.2
-
40
-
-
0002417697
-
-
CHPLBC 0009-2614 10.1016/0009-2614(91)90477-Q
-
M. A. Al-Laham and K. Raghavachari, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(91)90477-Q 187, 13 (1991).
-
(1991)
Chem. Phys. Lett.
, vol.187
, pp. 13
-
-
Al-Laham, M.A.1
Raghavachari, K.2
-
42
-
-
0000156462
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.45.4203
-
W. Andreoni, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.4203 45, 4203 (1992).
-
(1992)
Phys. Rev. B
, vol.45
, pp. 4203
-
-
Andreoni, W.1
-
45
-
-
0028409078
-
-
JPAPEH 0953-4075 10.1088/0953-4075/27/8/022
-
S. M. Song, A. K. Ray, and P. K. Khowash, J. Phys. B JPAPEH 0953-4075 10.1088/0953-4075/27/8/022 27, 1637 (1994).
-
(1994)
J. Phys. B
, vol.27
, pp. 1637
-
-
Song, S.M.1
Ray, A.K.2
Khowash, P.K.3
-
47
-
-
36449009255
-
-
JCPSA6 0021-9606 10.1063/1.461529
-
R. M. Graves and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.461529 95, 6602 (1991).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 6602
-
-
Graves, R.M.1
Scuseria, G.E.2
-
48
-
-
0000260963
-
-
JCPSA6 0021-9606 10.1063/1.465363
-
R. O. Jones, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.465363 99, 1194 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 1194
-
-
Jones, R.O.1
-
49
-
-
0000945685
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.48.8470
-
V. Kumar, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.8470 48, 8470 (1993).
-
(1993)
Phys. Rev. B
, vol.48
, pp. 8470
-
-
Kumar, V.1
|