DOI: 10.1021/jp0022104. Adsorption of Multiple H2 Molecules on Pd3 and Pd4 Clusters. A Density Functional Study

Adsorption of Multiple H2 Molecules on Pd3 and Pd4 Clusters. A Density Functional Study

10.1021/jp0022104

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry A (316)

Bibliography

Moc, J., Musaev, D. G., & Morokuma, K. (2000). Adsorption of Multiple H2 Molecules on Pd3 and Pd4 Clusters. A Density Functional Study. The Journal of Physical Chemistry A, 104(49), 11606â11614.

Authors 3

Jerzy Moc (first)
Djamaladdin G. Musaev (additional)
Keiji Morokuma (additional)

References 27 Referenced 48

{'key': 'jp0022104b00001/jp0022104b00001_1', 'volume-title': 'for example:\u2009 (a) Physics and Chemistry of Finite Systems:\u2009 From Clusters to Crystals', 'author': 'See', 'year': '1992'} / for example: (a) Physics and Chemistry of Finite Systems: From Clusters to Crystals by See (1992)
10.1063/1.477767 / J. Chem. Phys. by Knickelbein M. B. (1998)
10.1103/PhysRevLett.54.1494 / Phys. Rev. Lett. by Whetten R. L. (1985)
10.1063/1.458472 / J. Chem. Phys. by Fayet P. (1990)
10.1063/1.476269 / J. Chem. Phys. by Cui Q. (1998)
10.1021/jp982273a / J. Phys. Chem. A by Cui Q. (1998)
10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. (1988)
10.1063/1.464913 / J. Chem. Phys. by Becke A. D. (1993)
{'key': 'jp0022104b00008/jp0022104b00008_1', 'first-page': '333', 'volume': '93', 'author': 'Bauschlicher C. W.', 'year': '1997', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. by Bauschlicher C. W. (1997)
10.1063/1.448975 / J. Chem. Phys. by Hay P. J. (1985)
10.1063/1.1674408 / J. Chem. Phys. by Dunning T. H., Jr. (1970)
10.1007/BF01114537 / Theor. Chim. Acta by Andrae D. (1990)
10.1063/1.456153 / J. Chem. Phys. by Dunning T. H. (1989)
10.1063/1.456010 / J. Chem. Phys. by Gonzalez C. (1989)
10.1021/j100377a021 / J. Phys. Chem. by Gonzalez C. (1990)
{'key': 'jp0022104b00016/jp0022104b00016_1', 'volume-title': 'Revision A.1', 'author': 'Frisch M. J.', 'year': '1998'} / Revision A.1 by Frisch M. J. (1998)
10.1080/00268977000101561 / Mol. Phys. by Boys S. (1970)
10.1021/j100069a005 / J. Phys. Chem. by Estiu G. L. (1994)
10.1063/1.470098 / J. Chem. Phys. by Dai D. (1995)
10.1021/jp9913160 / J. Phys. Chem. A by Zacarias A. G. (1999)
10.1021/ja00045a017 / J. Am. Chem. Soc. by Goursot A. (1992)
10.1021/jp960356q / J. Phys. Chem. by Valerio G. (1996)
10.1021/jp950910g / J. Phys. Chem. by Harada M. (1996)
10.1063/1.481666 / J. Chem. Phys. by Moc J. (2000)
10.1021/ja00011a047 / J. Am. Chem. Soc. by Fryzuk M. D. (1991)
10.1021/ja00088a017 / J. Am. Chem. Soc. by Fryzuk M. D. (1994)

Dates

Type	When
Created	23 years ago (July 26, 2002, 2:02 a.m.)
Deposited	2 years, 5 months ago (March 5, 2023, 8:45 p.m.)
Indexed	4 months ago (April 21, 2025, 12:43 p.m.)
Issued	24 years, 9 months ago (Nov. 18, 2000)
Published	24 years, 9 months ago (Nov. 18, 2000)
Published Online	24 years, 9 months ago (Nov. 18, 2000)
Published Print	24 years, 8 months ago (Dec. 1, 2000)

Funders 0

None

BibTeX

@article{Moc_2000, title={Adsorption of Multiple H2 Molecules on Pd3 and Pd4 Clusters. A Density Functional Study}, volume={104}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp0022104}, DOI={10.1021/jp0022104}, number={49}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Moc, Jerzy and Musaev, Djamaladdin G. and Morokuma, Keiji}, year={2000}, month=nov, pages={11606–11614} }

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