-
3
-
-
0000564783
-
-
D. Chastaing, S.D. Le Picard, I.R. Sims, I.W.M. Smith, W.D. Geppert, C. Neulin, M. Costes, Chem. Phys. Lett. 331 (2000) 170.
-
(2000)
Chem. Phys. Lett.
, vol.331
, pp. 170
-
-
Chastaing, D.1
Le Picard, S.D.2
Sims, I.R.3
Smith, I.W.M.4
Geppert, W.D.5
Neulin, C.6
Costes, M.7
-
5
-
-
0035249194
-
-
R.I. Kaiser, C.C. Chiong, O. Asvony, Y.T. Lee, F. Stahl, P. von R Schleyer, H.F. Schaefer, J. Chem. Phys. 114 (2001) 3488.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 3488
-
-
Kaiser, R.I.1
Chiong, C.C.2
Asvony, O.3
Lee, Y.T.4
Stahl, F.5
Von Schleyer, P.R.6
Schaefer, H.F.7
-
7
-
-
0035869076
-
-
N. Le-Trung, H.-Y. Lee, A.M. Mebel, R.I. Kaiser, J. Phys. Chem. A 105 (2001) 1847.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 1847
-
-
Le-Trung, N.1
Lee, H.-Y.2
Mebel, A.M.3
Kaiser, R.I.4
-
8
-
-
0034647559
-
-
R. Notario, O. Castano, R. Gomperts, L.M. Frutos, R. Palmerio, J. Org. Chem. 65 (2000) 4298.
-
(2000)
J. Org. Chem.
, vol.65
, pp. 4298
-
-
Notario, R.1
Castano, O.2
Gomperts, R.3
Frutos, L.M.4
Palmerio, R.5
-
11
-
-
0038596731
-
-
B. Miehlich, A. Savin, H. Stoll, H. Preuss, Chem. Phys. Lett. 157 (1989) 200.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
12
-
-
0003454331
-
-
J.F. Dobson, G. Vignale, M.P. Das (Eds.), Plenum Press, New York
-
K. Burke, J.P. Perdew, Y. Wang, in: J.F. Dobson, G. Vignale, M.P. Das (Eds.), Electronic Density Functional Theory: Recent Progress and New Directions, Plenum Press, New York, 1988.
-
(1988)
Electronic Density Functional Theory: Recent Progress and New Directions
-
-
Burke, K.1
Perdew, J.P.2
Wang, Y.3
-
13
-
-
0002851019
-
-
P. Ziesche, H. Eschrig (Eds.), Akademie Verlag, Berlin
-
J.P. Perdew, in: P. Ziesche, H. Eschrig (Eds.), Electronic Structure of Solids'91, Akademie Verlag, Berlin, 1991, p. 11.
-
(1991)
Electronic Structure of Solids'91
, pp. 11
-
-
Perdew, J.P.1
-
14
-
-
23244460838
-
-
J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 6671.
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
15
-
-
0001622167
-
-
J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 48 (1993) 4978.
-
(1993)
Phys. Rev. B
, vol.48
, pp. 4978
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
17
-
-
0004133516
-
-
Gaussian Inc., Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, N. Rega, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN98, Gaussian Inc., Pittsburgh, PA, 2001.
-
(2001)
GAUSSIAN98
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Rega, N.30
Salvador, P.31
Dannenberg, J.J.32
Malick, D.K.33
Rabuck, A.D.34
Raghavachari, K.35
Foresman, J.B.36
Cioslowski, J.37
Ortiz, J.V.38
Baboul, A.G.39
Stefanov, B.B.40
Liu, G.41
Liashenko, A.42
Piskorz, P.43
Komaromi, I.44
Gomperts, R.45
Martin, R.L.46
Fox, D.J.47
Keith, T.48
Al-Laham, M.A.49
Peng, C.Y.50
Nanayakkara, A.51
Challacombe, M.52
Gill, P.M.W.53
Johnson, B.54
Chen, W.55
Wong, M.W.56
Andres, J.L.57
Gonzalez, C.58
Head-Gordon, M.59
Replogle, E.S.60
Pople, J.A.61
more..
-
26
-
-
0005132571
-
-
T. Minato, Y. Osamura, S. Yamabe, K. Fukui, J. Am. Chem. Soc. 102 (1980) 581.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 581
-
-
Minato, T.1
Osamura, Y.2
Yamabe, S.3
Fukui, K.4
-
27
-
-
0003716590
-
-
Wiley-Interscience, London
-
D.W. Turner, C. Baker, A.D. Baker, C.R. Brundle, Molecular Photoelectron Spectroscopy, Wiley-Interscience, London, 1970.
-
(1970)
Molecular Photoelectron Spectroscopy
-
-
Turner, D.W.1
Baker, C.2
Baker, A.D.3
Brundle, C.R.4
-
29
-
-
0005185197
-
-
National Bureau of Standards, Washington, DC
-
R.D. Nelson Jr., D.R. Lede Jr., A.A. Maryott, National Standard Reference Data Series, No. 10, National Bureau of Standards, Washington, DC, 1967.
-
(1967)
National Standard Reference Data Series
, vol.10
-
-
Nelson R.D., Jr.1
Lede D.R., Jr.2
Maryott, A.A.3
-
30
-
-
0003929557
-
-
National Standard Reference Data Series, National Bureau of Standards, Washington, DC
-
T. Shimanouchi, Tables on Molecular Vibrational Frequencies, National Standard Reference Data Series, National Bureau of Standards, Washington, DC, 1972.
-
(1972)
Tables on Molecular Vibrational Frequencies
-
-
Shimanouchi, T.1
-
33
-
-
85005470381
-
-
J.A. Pople, A.P. Scott, M.W. Wong, L. Radom, Isr. J. Chem. 33 (1993) 345.
-
(1993)
Isr. J. Chem.
, vol.33
, pp. 345
-
-
Pople, J.A.1
Scott, A.P.2
Wong, M.W.3
Radom, L.4
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