-
2
-
-
21144473595
-
-
0301-0104 10.1016/0301-0104(93)87002-5.
-
V. G. Zakrzewski, W. v. Niessen, A. I. Boldyrev, and P. v. R. Schleyer, Chem. Phys. 0301-0104 10.1016/0301-0104(93)87002-5 174, 167 (1993).
-
(1993)
Chem. Phys.
, vol.174
, pp. 167
-
-
Zakrzewski, V.G.1
Niessen, W.V.2
Boldyrev, A.I.3
Schleyer, P.V.R.4
-
3
-
-
0001221090
-
-
0163-1829 10.1103/PhysRevB.57.3787.
-
S. K. Nayak, S. N. Khana, and P. Jena, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.3787 57, 3787 (1998).
-
(1998)
Phys. Rev. B
, vol.57
, pp. 3787
-
-
Nayak, S.K.1
Khana, S.N.2
Jena, P.3
-
4
-
-
0001325846
-
-
0009-2614 10.1016/S0009-2614(99)00024-X.
-
S. K. Nayak, B. K. Rao, P. Jena, X. Li, and L. S. Wang, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(99)00024-X 301, 379 (1999).
-
(1999)
Chem. Phys. Lett.
, vol.301
, pp. 379
-
-
Nayak, S.K.1
Rao, B.K.2
Jena, P.3
Li, X.4
Wang, L.S.5
-
5
-
-
0000317060
-
-
1089-5639 10.1021/jp983297k.
-
B. H. Boo and Z. Liu, J. Phys. Chem. A 1089-5639 10.1021/jp983297k 103, 1250 (1999).
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 1250
-
-
Boo, B.H.1
Liu, Z.2
-
6
-
-
0000455712
-
-
0022-3689
-
L. Andrews, M. Zhou, G. V. Chertihin, W. D. Bare, and Y. Hannachi, J. Phys. A 104, 1656 (2000). 0022-3689
-
(2000)
J. Phys. A
, vol.104
, pp. 1656
-
-
Andrews, L.1
Zhou, M.2
Chertihin, G.V.3
Bare, W.D.4
Hannachi, Y.5
-
7
-
-
0035121040
-
-
0021-9606 10.1063/1.1333017.
-
B. R. Leskiw, A. W. Castleman, Jr., C. Ashman, and S. N. Khanna, J. Chem. Phys. 0021-9606 10.1063/1.1333017 114, 1165 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 1165
-
-
Leskiw, B.R.1
Castleman Jr., A.W.2
Ashman, C.3
Khanna, S.N.4
-
9
-
-
33645085840
-
-
0020-7608 10.1002/qua.20870.
-
L. Guo and H. -S. Wu, Int. J. Quantum Chem. 0020-7608 10.1002/qua.20870 106, 1250 (2006).
-
(2006)
Int. J. Quantum Chem.
, vol.106
, pp. 1250
-
-
Guo, L.1
Wu, H.-S.2
-
10
-
-
23744484487
-
-
1434-6060 10.1140/epjd/e2005-00100-3.
-
X. Li and L. S. Wang, Eur. Phys. J. D 1434-6060 10.1140/epjd/e2005-00100- 3 34, 9 (2005).
-
(2005)
Eur. Phys. J. D
, vol.34
, pp. 9
-
-
Li, X.1
Wang, L.S.2
-
11
-
-
33645504576
-
-
1089-5639 10.1021/jp0562781.
-
G. Meloni, S. M. Sheehan, B. F. Parsons, and D. M. Neumark, J. Phys. Chem. A 1089-5639 10.1021/jp0562781 110, 3527 (2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 3527
-
-
Meloni, G.1
Sheehan, S.M.2
Parsons, B.F.3
Neumark, D.M.4
-
12
-
-
33749255767
-
-
0021-9606 10.1063/1.2335449.
-
B. B. Averkiev, A. I. Boldyrev, X. Li, and L. S. Wang, J. Chem. Phys. 0021-9606 10.1063/1.2335449 125, 124305 (2006).
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 124305
-
-
Averkiev, B.B.1
Boldyrev, A.I.2
Li, X.3
Wang, L.S.4
-
13
-
-
33847158901
-
-
1089-5639 10.1021/jp066747e.
-
B. B. Averkiev, A. I. Boldyrev, X. Li, and L. S. Wang, J. Phys. Chem. A 1089-5639 10.1021/jp066747e 111, 34 (2007).
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 34
-
-
Averkiev, B.B.1
Boldyrev, A.I.2
Li, X.3
Wang, L.S.4
-
14
-
-
23944459602
-
-
0217-9792
-
B. Wang, D. Shi, X. Chen, G. Wang, and J. Zhao, Int. J. Mod. Phys. B 19, 2380 (2005). 0217-9792
-
(2005)
Int. J. Mod. Phys. B
, vol.19
, pp. 2380
-
-
Wang, B.1
Shi, D.2
Chen, X.3
Wang, G.4
Zhao, J.5
-
15
-
-
85118959034
-
-
1434-6060 10.1007/s10053-002-8807-2.
-
Q. Sun, Q. Wang, X. G. Gong, V. Kumar, and Y. Kawazoe, Eur. Phys. J. D 1434-6060 10.1007/s10053-002-8807-2 18, 77 (2002).
-
(2002)
Eur. Phys. J. D
, vol.18
, pp. 77
-
-
Sun, Q.1
Wang, Q.2
Gong, X.G.3
Kumar, V.4
Kawazoe, Y.5
-
16
-
-
41549091056
-
-
1089-5639
-
B. B. Averkiev, S. Call, A. I. Boldyrev, L. M. Wang, W. Huang, and L. S. Wang, J. Phys. Chem. A 112, 1873 (2008). 1089-5639
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 1873
-
-
Averkiev, B.B.1
Call, S.2
Boldyrev, A.I.3
Wang, L.M.4
Huang, W.5
Wang, L.S.6
-
18
-
-
4243803574
-
-
0031-9007 10.1103/PhysRevLett.81.1909.
-
X. Li, H. Wu, X. B. Wang, and L. S. Wang, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1909 81, 1909 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 1909
-
-
Li, X.1
Wu, H.2
Wang, X.B.3
Wang, L.S.4
-
19
-
-
0000989876
-
-
0163-1829 10.1103/PhysRevB.60.R11297.
-
J. Akola, M. Manninen, H. Hakkinen, U. Landman, X. Li, and L. S. Wang, Phys. Rev. B 0163-1829 10.1103/PhysRevB.60.R11297 60, R11297 (1999).
-
(1999)
Phys. Rev. B
, vol.60
, pp. 11297
-
-
Akola, J.1
Manninen, M.2
Hakkinen, H.3
Landman, U.4
Li, X.5
Wang, L.S.6
-
20
-
-
5444230603
-
-
0021-9606 10.1063/1.1783276.
-
A. N. Alexandrova, A. I. Boldyrev, Y. -J. Fu, X. B. Wang, and L. S. Wang, J. Chem. Phys. 0021-9606 10.1063/1.1783276 121, 5709 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 5709
-
-
Alexandrova, A.N.1
Boldyrev, A.I.2
Fu, Y.-J.3
Wang, X.B.4
Wang, L.S.5
-
22
-
-
0000189651
-
-
0021-9606 10.1063/1.464913.
-
A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
24
-
-
0345491105
-
-
0163-1829 10.1103/PhysRevB.37.785.
-
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
25
-
-
0001802479
-
-
0065-2385 10.1002/9780470143599.ch2.
-
J. Čižek, Adv. Chem. Phys. 0065-2385 10.1002/9780470143599. ch2 14, 35 (1969).
-
(1969)
Adv. Chem. Phys.
, vol.14
, pp. 35
-
-
Čižek, J.1
-
27
-
-
0006244148
-
-
0009-2614 10.1016/S0009-2614(89)87395-6.
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(89)87395-6 157, 479 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
28
-
-
2442617487
-
-
0002-7863 10.1021/ja00523a008, ();, J. Am. Chem. Soc. 0002-7863 10.1021/ja00374a017 104, 2797 (1982);, J. Am. Chem. Soc. 0002-7863 10.1021/ja00383a007 104, 5039 (1982).
-
J. S. Binkley, J. A. Pople, and W. J. Hehre, J. Am. Chem. Soc. 0002-7863 10.1021/ja00523a008 102, 939 (1980); M. S. Gordon, J. S. Binkley, J. A. Pople, W. J. Pietro, and W. J. Hehre, J. Am. Chem. Soc. 0002-7863 10.1021/ja00374a017 104, 2797 (1982); W. J. Pietro, M. M. Francl, W. J. Hehre, D. J. Defrees, J. A. Pople, and J. S. Binkley, J. Am. Chem. Soc. 0002-7863 10.1021/ja00383a007 104, 5039 (1982).
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 939
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
Gordon, M.S.4
Binkley, J.S.5
Pople, J.A.6
Pietro, W.J.7
Hehre, W.J.8
Pietro, W.J.9
Francl, M.M.10
Hehre, W.J.11
Defrees, D.J.12
Pople, J.A.13
Binkley, J.S.14
-
30
-
-
84986468715
-
-
0192-8651 10.1002/jcc.540040303.
-
T. Clark, J. Chandrasekhar, G. W. Spitznagel, and P. v. R. Schleyer, J. Comput. Chem. 0192-8651 10.1002/jcc.540040303 4, 294 (1983).
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
32
-
-
84990686907
-
-
0161-3642, ();, Chem. Phys. Lett. 171, 197 (1990).
-
J. V. Ortiz, Int. J. Quantum Chem., Quantum Chem. Symp. 0161-3642 23, 321 (1989); J. S. Lin and J. V. Ortiz, Chem. Phys. Lett. 171, 197 (1990).
-
(1989)
Int. J. Quantum Chem., Quantum Chem. Symp.
, vol.23
, pp. 321
-
-
Ortiz, J.V.1
Lin, J.S.2
Ortiz, J.V.3
-
33
-
-
0003059880
-
-
0020-7608 10.1002/(SICI)1097-461X(1996)60:1<29::AID-QUA3>3.0.CO;2- 7.
-
V. G. Zakrzewski, J. V. Ortiz, J. A. Nichols, D. Heryadi, D. L. Yeager, and J. T. Golab, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097-461X(1996) 60:1<29::AID-QUA3>3.0.CO;2-7 60, 29 (1996).
-
(1996)
Int. J. Quantum Chem.
, vol.60
, pp. 29
-
-
Zakrzewski, V.G.1
Ortiz, J.V.2
Nichols, J.A.3
Heryadi, D.4
Yeager, D.L.5
Golab, J.T.6
-
34
-
-
34547356773
-
-
0021-9606 10.1063/1.2741528.
-
Y. Dahnovsky, J. Chem. Phys. 0021-9606 10.1063/1.2741528 126, 234111 (2007).
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 234111
-
-
Dahnovsky, Y.1
-
35
-
-
34447121999
-
-
0163-1829 10.1103/PhysRevB.76.035304.
-
A. Kletsov and Y. Dahnovsky, Phys. Rev. B 0163-1829 10.1103/PhysRevB.76. 035304 76, 035304 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 035304
-
-
Kletsov, A.1
Dahnovsky, Y.2
-
37
-
-
0000287603
-
-
0021-9606 10.1063/1.475855.
-
M. E. Casida, C. Jamorski, K. C. Casida, and D. R. Salahub, J. Chem. Phys. 0021-9606 10.1063/1.475855 108, 4439 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4439
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salahub, D.R.4
-
38
-
-
64549151818
-
-
GAUSSIAN 03, revision D.01, Gaussian, Inc., Wallingford, CT.
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, revision D.01, Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
39
-
-
64549160034
-
-
MOLPRO, a package of ab initio programs, version.1, see.
-
MOLPRO, a package of ab initio programs, version 2006.1, H. -J. Werner, P. J. Knowles, R. Lindh, see http://www.molpro.net.
-
(2006)
-
-
Werner, H.-J.1
Knowles, P.J.2
Lindh, R.3
-
40
-
-
64549107137
-
-
MOLDEN3.4, CAOS/CAMM Center, The Netherlands.
-
MOLDEN3.4, G. Schaftenaar, CAOS/CAMM Center, The Netherlands, 1998.
-
(1998)
-
-
Schaftenaar, G.1
|