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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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: 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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A Density Functional Study of the Addition of Water to SO3in the Gas Phase and in Aqueous Solution

The Journal of Physical Chemistry A ◽

10.1021/jp972146z ◽

1998 ◽

Vol 102 (17) ◽

pp. 2893-2898 ◽

Author(s):

Evert Jan Meijer ◽

Michiel Sprik

Keyword(s):

Aqueous Solution ◽

Gas Phase ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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A theoretical density functional study of association of Zn2+with oxazolidine and its thio derivatives in the gas phase

Journal of Physical Organic Chemistry ◽

10.1002/poc.1648 ◽

2010 ◽

pp. n/a-n/a ◽

Author(s):

Zaki S. Safi ◽

Al Mokhtar Lamsabhi

Keyword(s):

Gas Phase ◽

Density Functional ◽

Theoretical Density ◽

Functional Study ◽

Density Functional Study

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Equilibrium structure of the carbon dioxide-water complex in the gas phase: an ab initio and density functional study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04770-7 ◽

1997 ◽

Vol 390 (1-3) ◽

pp. 157-167 ◽

Author(s):

Martina Kieninger ◽

Oscar N. Ventura

Keyword(s):

Carbon Dioxide ◽

Ab Initio ◽

Gas Phase ◽

Density Functional ◽

Equilibrium Structure ◽

Functional Study ◽

Density Functional Study ◽

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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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Potential energy surfaces and mechanisms for activation of ethane by gas-phase Pt+: A density functional study

Chemical Physics Letters ◽

10.1016/j.cplett.2010.11.015 ◽

2011 ◽

Vol 501 (4-6) ◽

pp. 554-561 ◽

Author(s):

Peng Ye ◽

Q. Ye ◽

Ganbing Zhang ◽

Zexing Cao

Keyword(s):

Potential Energy ◽

Gas Phase ◽

Potential Energy Surfaces ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Energy Surfaces

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A density functional study of plutonyl trifluoroacetone complexes in the gas phase and in solution

Molecular Physics ◽

10.1080/00268970009483384 ◽

2000 ◽

Vol 98 (21) ◽

pp. 1803-1809 ◽

Author(s):

LAURA GAGLIARDI ◽

ANDREW WILLETTS

Keyword(s):

Gas Phase ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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