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 chirospectra of hydrogen-bonded systems X − (H 2 O) 3 ( X = F, Cl, Br, I)

Chinese Physics B ◽

10.1088/1674-1056/19/4/043601 ◽

2010 ◽

Vol 19 (4) ◽

pp. 043601 ◽

Author(s):

Mang Chao-Yong ◽

Li Zhen-Gui ◽

Wu Ke-Chen

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hydrogen Bonded Systems ◽

Hydrogen Bonded

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Density functional study of strong hydrogen‐bonded systems: The hydrogen diformiate complex

The Journal of Chemical Physics ◽

10.1063/1.471601 ◽

1996 ◽

Vol 104 (21) ◽

pp. 8524-8534 ◽

Author(s):

Péter Süle ◽

Á. Nagy

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hydrogen Bonded Systems ◽

Hydrogen Bonded

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Density functional study of hydrogen-bonded systems: from gas-phase adducts to catalytically relevant systems

Il Nuovo Cimento D ◽

10.1007/bf03185373 ◽

1997 ◽

Vol 19 (11) ◽

pp. 1765-1771 ◽

Author(s):

P. Ugliengo ◽

B. Civalleri ◽

E. Garrone

Keyword(s):

Gas Phase ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hydrogen Bonded Systems ◽

Hydrogen Bonded

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Density functional study of hydrogen-bonded systems: Energetic and vibrational features of some gas-phase adducts of hydrogen fluoride

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00249-2 ◽

1997 ◽

Vol 419 (1-3) ◽

pp. 227-238 ◽

Author(s):

B Civalleri ◽

E Garrone ◽

P Ugliengo

Keyword(s):

Gas Phase ◽

Hydrogen Fluoride ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hydrogen Bonded Systems ◽

Vibrational Features ◽

Hydrogen Bonded

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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 acetonitrile-water complex

International Journal of Quantum Chemistry ◽

10.1002/qua.20357 ◽

2005 ◽

Vol 102 (1) ◽

pp. 106-111 ◽

Author(s):

Ajay Chaudhari ◽

Shyi-Long Lee

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Water Complex ◽

Hydrogen Bonded

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The O–H⋯π hydrogen bonded phenol–benzene(+) radical cationic dimer: a gradient-corrected density functional study

Chemical Physics Letters ◽

10.1016/s0009-2614(02)00465-7 ◽

2002 ◽

Vol 358 (5-6) ◽

pp. 368-376 ◽

Author(s):

Ljupčo Pejov

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

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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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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