-
1
-
-
0043152522
-
-
Mo, Y.; Song, L.; Wu, W.; Cao, Z.; Zhang, Q. J. Theor. Comput. Chem. 2002, 1, 137.
-
(2002)
J. Theor. Comput. Chem
, vol.1
, pp. 137
-
-
Mo, Y.1
Song, L.2
Wu, W.3
Cao, Z.4
Zhang, Q.5
-
2
-
-
0000624732
-
-
Sovers, O. J.; Kern, C. W.; Pitzer, R. M.; Karplus, M. J. Chem. Phys. 1968, 49, 2592.
-
(1968)
J. Chem. Phys
, vol.49
, pp. 2592
-
-
Sovers, O.J.1
Kern, C.W.2
Pitzer, R.M.3
Karplus, M.4
-
5
-
-
0033371601
-
-
Goodman, L.; Pophristic, V.; Weinhold, F. Acc. Chem. Res. 1999, 32, 983.
-
(1999)
Acc. Chem. Res
, vol.32
, pp. 983
-
-
Goodman, L.1
Pophristic, V.2
Weinhold, F.3
-
6
-
-
0001220485
-
-
Goodman, L.; Gu, H.; Pophristic, V. J. Chem. Phys. 1999, 110, 4268.
-
(1999)
J. Chem. Phys
, vol.110
, pp. 4268
-
-
Goodman, L.1
Gu, H.2
Pophristic, V.3
-
7
-
-
0035833822
-
-
Pophristic, V.; Goodman, L.; Wu, C. T. J. Phys. Chem. A 2001, 105, 7454.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 7454
-
-
Pophristic, V.1
Goodman, L.2
Wu, C.T.3
-
8
-
-
43149125528
-
-
Goodman, L.; Pophristic, V.; Wang, W. Int. J. Quantum Chem. 2002, 90, 657.
-
(2002)
Int. J. Quantum Chem
, vol.90
, pp. 657
-
-
Goodman, L.1
Pophristic, V.2
Wang, W.3
-
9
-
-
0141745664
-
-
Bickelhaupt, F. M.; Baerends, E. J. Angew. Chem., Int. Ed. 2003, 42, 4183.
-
(2003)
J. Angew. Chem., Int. Ed
, vol.42
, pp. 4183
-
-
Bickelhaupt, F.M.1
Baerends, E.2
-
10
-
-
3042782943
-
-
Mo, Y.; Wu, W.; Song, L.; Lin, M.; Zang, Q. J. Angew. Chem., Int. Ed. 2004, 43, 1986.
-
(1986)
J. Angew. Chem., Int. Ed
, vol.2004
, pp. 43
-
-
Mo, Y.1
Wu, W.2
Song, L.3
Lin, M.4
Zang, Q.5
-
11
-
-
15944403519
-
-
Song, L.; Lin, Y.; Wu, W.; Zang, Q. J. Phys. Chem. A 2005, 109, 2310.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 2310
-
-
Song, L.1
Lin, Y.2
Wu, W.3
Zang, Q.4
-
13
-
-
0000908730
-
-
Leoboeuf, M.; Russo, N.; Salahub, D. R.; Toscano, M. J. Chem. Phys. 1995, 103, 7408.
-
(1995)
J. Chem. Phys
, vol.103
, pp. 7408
-
-
Leoboeuf, M.1
Russo, N.2
Salahub, D.R.3
Toscano, M.4
-
15
-
-
33646391225
-
-
Sairam, S. M.; Datta, A.; Pati, S. K. J. Phys. Chem. A. 2006, 110, 5156.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 5156
-
-
Sairam, S.M.1
Datta, A.2
Pati, S.K.3
-
16
-
-
0037061932
-
-
Freedman, T. B.; Cao, X.; Young, D. A.; Elmer, D. L.; Nafie, L. A. J. Phys. Chem. A 2002, 106, 3560.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 3560
-
-
Freedman, T.B.1
Cao, X.2
Young, D.A.3
Elmer, D.L.4
Nafie, L.A.5
-
17
-
-
56949104678
-
-
Norani, N.; Rahemi, H.; Tayyari, S. F.; Riley, M. J. J. Mol. Model. 2009, 15, 25.
-
(2009)
J. Mol. Model
, vol.15
, pp. 25
-
-
Norani, N.1
Rahemi, H.2
Tayyari, S.F.3
Riley, M.J.4
-
19
-
-
0001101989
-
-
Nakatsu, K.; Shiro, Y.; Saito, Y.; Kuroya, H. BulLChetThJSoocJpm. 1957, 30, 158.
-
(1957)
BulLChetThJSoocJpm
, vol.30
, pp. 158
-
-
Nakatsu, K.1
Shiro, Y.2
Saito, Y.3
Kuroya, H.4
-
23
-
-
0011224952
-
-
Young, D. A.; Freedman, T. B.; Elmer, D. L.; Nafie, L. A. J.Am. Chem. Soc. 1986, 108, 7255.
-
(1986)
J.Am. Chem. Soc
, vol.108
, pp. 7255
-
-
Young, D.A.1
Freedman, T.B.2
Elmer, D.L.3
Nafie, L.A.4
-
24
-
-
0002050277
-
-
Yan, B, Gremlish, H, Eds, Marcel Dekker: New York
-
Nafie, L. A.; Freedman, T. B. In Infrared and Raman Spectroscopy of Biological Materials; Yan, B., Gremlish, H., Eds.; Marcel Dekker: New York, 2001; pp 15-54.
-
(2001)
Infrared and Raman Spectroscopy of Biological Materials
, pp. 15-54
-
-
Nafie, L.A.1
Freedman, T.B.2
-
25
-
-
0002836982
-
-
Nakanish, K, Berova, N, Woody, W, Eds, Wiley: New York
-
Nafie, L. A.; Freedman, T. B. In Circular Dichromism, Theory and Practice; Nakanish, K., Berova, N., Woody, W., Eds.; Wiley: New York 2000; pp 97-131.
-
(2000)
Circular Dichromism, Theory and Practice
, pp. 97-131
-
-
Nafie, L.A.1
Freedman, T.B.2
-
27
-
-
0000429009
-
-
Gigante, D. M. P.; Long, F.; Bodack, L. A.; Evans, J. M.; Nafie, L. A.; Freedman, T. B. J. Phys. Chem. A 1999, 103, 1523.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 1523
-
-
Gigante, D.M.P.1
Long, F.2
Bodack, L.A.3
Evans, J.M.4
Nafie, L.A.5
Freedman, T.B.6
-
28
-
-
0031372043
-
-
Delvin, F. J.; Stephens, P. J.; Cheeseman, J. R.; Frisch, M. J. J. Phys. Chem. A 1997, 101, 9912.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 9912
-
-
Delvin, F.J.1
Stephens, P.J.2
Cheeseman, J.R.3
Frisch, M.J.4
-
29
-
-
0035860998
-
-
He, Y.; Cao, X.; Nafie, L. A.; Freedman, T. B. J. Am. Chem. Soc. 2001, 123, 11320.
-
(2001)
J. Am. Chem. Soc
, vol.123
, pp. 11320
-
-
He, Y.1
Cao, X.2
Nafie, L.A.3
Freedman, T.B.4
-
31
-
-
0001704401
-
-
Gollogly, J. R.; Hawkins, C. J.; Beattie, J. K. Inorg. Chem. 1971, 10, 317.
-
(1971)
Inorg. Chem
, vol.10
, pp. 317
-
-
Gollogly, J.R.1
Hawkins, C.J.2
Beattie, J.K.3
-
32
-
-
75249093509
-
-
Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montogomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross J. B, Adamo, C, Jaramillo, J, Homperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochtreski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keith, T, Al-La
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montogomery, J. A.; Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross J. B.; Adamo, C.; Jaramillo, J.; Homperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochtreski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A. M.; Gill, P. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision B.01; Gaussian: Pittsburgh, PA, 2003.
-
-
-
-
34
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev.B 1998, 37, 785.
-
(1998)
Phys. Rev.B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
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