A Density Functional Study of Acidic Hydroxyl Groups in Zeolites and Their Interaction with Carbon Monoxide

The Journal of Physical Chemistry ◽

10.1021/jp952128m ◽

1996 ◽

Vol 100 (5) ◽

pp. 1814-1819 ◽

Author(s):

Kevin J. Farnworth ◽

Patrick J. O'Malley

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Hydroxyl Groups ◽

Density Functional Study

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A density functional study of carbon monoxide adsorption on small cationic, neutral, and anionic gold clusters

The Journal of Chemical Physics ◽

10.1063/1.1483067 ◽

2002 ◽

Vol 117 (8) ◽

pp. 4010-4015 ◽

Author(s):

X. Wu ◽

L. Senapati ◽

S. K. Nayak ◽

A. Selloni ◽

M. Hajaligol

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Gold Clusters ◽

Functional Study ◽

Carbon Monoxide Adsorption ◽

Density Functional Study

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Internal carbon monoxide exchange and CO dissociation in cobalt carbonyl carbene complexes. A density functional study

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2006.10.005 ◽

2007 ◽

Vol 692 (9) ◽

pp. 1825-1833 ◽

Author(s):

Tamás Kégl ◽

Ferenc Ungváry

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Cobalt Carbonyl ◽

Carbene Complexes ◽

Density Functional Study ◽

Co Dissociation

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Density Functional Study of Hydrogen-Bonded Systems: The Water−Carbon Monoxide Complex

The Journal of Physical Chemistry A ◽

10.1021/jp963727b ◽

1997 ◽

Vol 101 (27) ◽

pp. 5004-5009 ◽

Author(s):

Jan Lundell ◽

Zdzislaw Latajka

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hydrogen Bonded Systems ◽

Hydrogen Bonded

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Density Functional Study on the Preactivation Scenario of the Dötz Reaction: Carbon Monoxide Dissociation versus Alkyne Addition as the First Reaction Step

Organometallics ◽

10.1021/om9704298 ◽

1998 ◽

Vol 17 (8) ◽

pp. 1492-1501 ◽

Author(s):

Maricel Torrent ◽

Miquel Duran ◽

Miquel Solà

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Reaction Step ◽

Density Functional Study ◽

Alkyne Addition

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Four- and Five-Coordinate CO Insertion in the Copolymerization of Carbon Monoxide and Olefins Catalyzed by Diphosphine Nickel(II) Complexes: A Dynamical Density Functional Study

Organometallics ◽

10.1021/om011027+ ◽

2002 ◽

Vol 21 (10) ◽

pp. 2036-2040 ◽

Author(s):

Filippo De Angelis ◽

Antonio Sgamellotti ◽

Nazzareno Re

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

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The migratory insertion of carbon monoxide and methyl isocyanide into zirconium?carbon and titanium?carbon bonds anchored to a calix[4]arene moiety: a dynamical density functional study

Theoretical Chemistry Accounts ◽

10.1007/s00214-003-0472-0 ◽

2003 ◽

Vol 110 (3) ◽

pp. 196-204 ◽

Author(s):

Filippo De Angelis ◽

Simona Fantacci ◽

Antonio Sgamellotti ◽

Nazzareno Re

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Migratory Insertion ◽

Carbon Bonds ◽

Methyl Isocyanide

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A density functional study of carbon monoxide adsorption on small cationic, neutral, and anionic aluminum phosphide clusters

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.01.017 ◽

2012 ◽

Vol 984 ◽

pp. 102-107 ◽

Author(s):

Ling Guo

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Aluminum Phosphide ◽

Carbon Monoxide Adsorption ◽

Density Functional Study

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Density Functional Study of the Interaction of Carbon Monoxide with Small Neutral and Charged Silver Clusters

The Journal of Physical Chemistry A ◽

10.1021/jp060996l ◽

2006 ◽

Vol 110 (22) ◽

pp. 7167-7172 ◽

Author(s):

Jia Zhou ◽

Zhen-Hua Li ◽

Wen-Ning Wang ◽

Kang-Nian Fan

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Silver Clusters ◽

Density Functional Study

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Density functional study of carbon monoxide chemisorption on model clusters of rhodium and palladium: a comparative analysis of the site selection

Journal of the American Chemical Society ◽

10.1021/ja00045a017 ◽

1992 ◽

Vol 114 (19) ◽

pp. 7452-7458 ◽

Author(s):

A. Goursot ◽

I. Papai ◽

D. R. Salahub

Keyword(s):

Carbon Monoxide ◽

Comparative Analysis ◽

Site Selection ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Adsorption of carbon monoxide on SixGe4–x(x= 0–4) nano-clusters: a hybrid meta density functional study

Molecular Physics ◽

10.1080/00268971003685756 ◽

2010 ◽

Vol 108 (10) ◽

pp. 1317-1327 ◽

Author(s):

M. Nahali ◽

F. Gobal

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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