Abstract
In terms of the reaction-path Hamiltonian formalism, the catalytic cycle of ethylene hydrogenation by the Pd2 cluster has been found to involve 5 reactions with 10 stationary points on the potential-energy surface.
References
1.
Dedieu A.
Inorganic Chemistry,
1981
2.
Jolly C.A., Marynick D.S.
Journal of the American Chemical Society,
1989
3.
Kawamura-Kuribayashi H., Koga N., Morokuma K.
Journal of the American Chemical Society,
1992
4.
Siegbahn P.E.
Journal of the American Chemical Society,
1993
5.
Koga N., Obara S., Kitaura K., Morokuma K.
Journal of the American Chemical Society,
1985
6.
Koga N., Morokuma K.
Chemical Reviews,
1991
7.
Sargent A.L., Hall M.B.
Inorganic Chemistry,
1992
8.
Sargent A.L., Hall M.B., Guest M.F.
Journal of the American Chemical Society,
1992
9.
Sakaki S., Ieki M.
Journal of the American Chemical Society,
1991
10.
Sakaki S., Ieki M.
Journal of the American Chemical Society,
1993
11.
Koga N., Morokuma K.
Journal of the American Chemical Society,
1993
12.
Sakaki S., Biswas B., Sugimoto M.
Organometallics,
1998
13.
10.1070/MC2000v010n02ABEH001216_bib5_1
Avdeev
Kinet. Katal.,
1996
14.
10.1070/MC2000v010n02ABEH001216_bib5_2
Su
J. Am. Chem. Soc.,
1997
15.
16.
Su M., Chu S.
Journal of Physical Chemistry A,
1997
17.
Clot E., Eisenstein O.
Journal of Physical Chemistry A,
1998
18.
Macgregor S.A., Eisenstein O., Whittlesey M.K., Perutz R.N.
Journal of the Chemical Society Dalton Transactions,
1998
19.
Mamaev V.M., Gloriozov I.P., Ishchenko S.Y., Simonyan V.V., Myshakin E.M., Prisyajnyuk A.V., Ustynyuk Y.A.
Journal of the Chemical Society Faraday Transactions,
1995
20.
Mamaev V.M., Gloriozov I.P., Prisyajnyuk A.V., Ustynyuk Y.A.
Mendeleev Communications,
1996
21.
10.1070/MC2000v010n02ABEH001216_bib7_3
Mamaev
Kinet. Katal.,
1998
22.
Mamaev V.M., Gloriozov I.P., Prisyajnyuk A.V.
Mendeleev Communications,
1998
23.
Niu S., Hall M.B.
Chemical Reviews,
2000
24.
Torrent M., Solà M., Frenking G.
Chemical Reviews,
2000
25.
Potential energy profile of a full catalytic cycle of olefin hydrogenation by the Wilkinson catalyst
Koga N., Daniel C., Han J., Fu X.Y., Morokuma K.
Journal of the American Chemical Society,
1987
26.
Daniel C., Koga N., Han J., Fu X.Y., Morokuma K.
Journal of the American Chemical Society,
1988
27.
Musaev D.G., Mebel A.M., Morokuma K.
Journal of the American Chemical Society,
1994
28.
Matsubara T., Koga N., Ding Y., Musaev D.G., Morokuma K.
Organometallics,
1997
29.
Cui Q., Musaev D.G., Morokuma K.
Organometallics,
1997
30.
Cui Q., Musaev D.G., Morokuma K.
Organometallics,
1998
31.
Albert K., Gisdakis P., Rösch N.
Organometallics,
1998
32.
Mamaev V.M., Gloriozov I.P., Simonyan V.V., Zernova E.V., Prisyajnyuk A.V., Ustynyuk Y.A.
Mendeleev Communications,
1997
33.
Miller W.H.
The Journal of Physical Chemistry,
1983
34.
Filatov M.J., Gritsenko O.V., Zhidomirov G.M.
Journal of Molecular Catalysis,
1989
35.
Becke A.D.
Physical Review A,
1988
36.
Lee C., Yang W., Parr R.G.
Physical Review B,
1988
37.
Perdew J.P., Burke K., Ernzerhof M.
Physical Review Letters,
1996
38.
Laikov D.N.
Chemical Physics Letters,
1997
39.
Daley S.P., Utz A.L., Trautman T.R., Ceyer S.T.
Journal of the American Chemical Society,
1994
40.
Mamaev V.M., Gloriozov I.P., Lemenovskii D.A., Zernova E.V.
Kinetics and Catalysis,
2000