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Autor publikacji K. Morokuma

2008

Zeolite-supported palladium tetramer and its reactivity toward H2 molecules: computational studies.

Moc Jerzy, Musaev D. G., Morokuma K.

2003

Activation and adsorption of multiple H2 molecules on a Pd5 cluster: a density functional study.

Moc Jerzy, Musaev D. G., Morokuma K.

2000

Adsorption of multiple H2 molecules on Pd3 and Pd4 clusters. A density functional study.

Moc Jerzy, Musaev D. G., Morokuma K.

1997

Ab initio MO study on the periodic trends in structures and energies of hypervalent compounds: five-, six-, and seven-coordinated XF5, XH6-, XF6-, XH72- and XF72-species containing a group 15 central atom (where X is P, As, Sb, Bi).

Moc Jerzy, Morokuma K.

1995

Ab initio molecular orbital study on the periodic trends in structures and energies of hypervalent compounds: Five - coordinated XH5 species containing a group 15 central atom (X = P, As, Sb and Bi).

Moc Jerzy, Morokuma K.

1994

Ab initio MO study on the periodic trends in structures and energies of hypervalent compounds: four-coordinated XH4- and XF4- anions containing a group 15 central atom (X= P, As, Sb, Bi).

Moc Jerzy, Morokuma K.

1993

Transition structures for H2 elimination from XH4 hypervalent species (X=S, Se and Te) : ab initio MO study.

Moc Jerzy, Dorigo A. E., Morokuma K.