Hydrogen bonds between acetylene and formic acid: An ab initio study

M. K. D. L. Belarmino; N. B. D. Lima; M. N. Ramos

doi:10.1002/qua.24165

Hydrogen bonds between acetylene and formic acid: An ab initio study

International Journal of Quantum Chemistry ◽

10.1002/qua.24165 ◽

2012 ◽

Vol 112 (19) ◽

pp. 3246-3251 ◽

Cited By ~ 1

Author(s):

M. K. D. L. Belarmino ◽

N. B. D. Lima ◽

M. N. Ramos

Keyword(s):

Hydrogen Bonds ◽

Formic Acid ◽

Ab Initio ◽

Ab Initio Study

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Ab Initio Study of Complexes with Two Cations as N−H Donors to F-: Structures and Spin−Spin Coupling Constants across N−H−F Hydrogen Bonds

The Journal of Physical Chemistry A ◽

10.1021/jp0547515 ◽

2005 ◽

Vol 109 (47) ◽

pp. 10753-10758 ◽

Cited By ~ 3

Author(s):

Janet E. Del Bene ◽

José Elguero

Keyword(s):

Hydrogen Bonds ◽

Ab Initio ◽

Coupling Constants ◽

Spin Coupling ◽

Ab Initio Study ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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An ab initio study of (CH⋯X)+ hydrogen bonds including biological systems

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(85)85012-0 ◽

1985 ◽

Vol 133 ◽

pp. 139-146 ◽

Cited By ~ 6

Author(s):

N. Sreerama ◽

Saraswathi Vishveshwara

Keyword(s):

Hydrogen Bonds ◽

Ab Initio ◽

Biological Systems ◽

Ab Initio Study

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Ab Initio Study of Ternary Complexes X:(HCNH)+:Z with X, Z = NCH, CNH, FH, ClH, and FCl: Diminutive Cooperative Effects on Structures, Binding Energies, and Spin–Spin Coupling Constants Across Hydrogen Bonds

The Journal of Physical Chemistry A ◽

10.1021/jp203576j ◽

2011 ◽

Vol 115 (45) ◽

pp. 12677-12687 ◽

Cited By ~ 14

Author(s):

Janet E. Del Bene ◽

Ibon Alkorta ◽

José Elguero

Keyword(s):

Hydrogen Bonds ◽

Ab Initio ◽

Ternary Complexes ◽

Binding Energies ◽

Coupling Constants ◽

Spin Coupling ◽

Ab Initio Study ◽

Cooperative Effects ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Characterization of low-barrier hydrogen bonds 2. HF2−: a density functional and ab initio study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00169-3 ◽

1998 ◽

Vol 427 (1-3) ◽

pp. 39-53 ◽

Cited By ~ 31

Author(s):

Michael A. McAllister

Keyword(s):

Hydrogen Bonds ◽

Ab Initio ◽

Density Functional ◽

Ab Initio Study ◽

Low Barrier Hydrogen Bonds

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Ab Initio Study of Hydrogen Bonding and Proton Transfer in 3:1 FH:NH3and FH:Collidine Complexes: Structures and One- and Two-Bond Coupling Constants across Hydrogen Bonds

The Journal of Physical Chemistry A ◽

10.1021/jp055369v ◽

2006 ◽

Vol 110 (3) ◽

pp. 1128-1133 ◽

Cited By ~ 8

Author(s):

Janet E. Del Bene ◽

José Elguero

Keyword(s):

Hydrogen Bonding ◽

Hydrogen Bonds ◽

Proton Transfer ◽

Ab Initio ◽

Coupling Constants ◽

Ab Initio Study

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Characterization of Low-Barrier Hydrogen Bonds. 6. Cavity Polarity Effects on the Formic Acid−Formate Anion Model System. An ab Initio and DFT Investigation

Journal of the American Chemical Society ◽

10.1021/ja972311o ◽

1998 ◽

Vol 120 (1) ◽

pp. 166-169 ◽

Cited By ~ 45

Author(s):

Yongping Pan ◽

Michael A. McAllister

Keyword(s):

Hydrogen Bonds ◽

Formic Acid ◽

Ab Initio ◽

Model System ◽

Polarity Effects ◽

Low Barrier Hydrogen Bonds ◽

Ab Initio And Dft

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Cooperativity in Intramolecular Bifurcated Hydrogen Bonds: An Ab Initio Study

The Journal of Physical Chemistry A ◽

10.1021/jp711956u ◽

2008 ◽

Vol 112 (15) ◽

pp. 3492-3498 ◽

Cited By ~ 49

Author(s):

Rubén D. Parra ◽

Jessica Ohlssen

Keyword(s):

Hydrogen Bonds ◽

Ab Initio ◽

Ab Initio Study

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Crystallographic and ab initio study of pyridine CH–O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds

CrystEngComm ◽

10.1039/c3ce40759d ◽

2013 ◽

Vol 15 (48) ◽

pp. 10481 ◽

Cited By ~ 20

Author(s):

Jovan Lj. Dragelj ◽

Goran V. Janjić ◽

Dušan Ž. Veljković ◽

Snežana D. Zarić

Keyword(s):

Hydrogen Bonds ◽

Ab Initio ◽

Ab Initio Study

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Characterization of Low-Barrier Hydrogen Bonds. 7. Relationship between Strength and Geometry of Short-Strong Hydrogen Bonds. The Formic Acid−Formate Anion Model System. An ab Initio and DFT Investigation

Journal of the American Chemical Society ◽

10.1021/ja972517p ◽

1997 ◽

Vol 119 (46) ◽

pp. 11277-11281 ◽

Cited By ~ 47

Author(s):

C. Jay Smallwood ◽

Michael A. McAllister

Keyword(s):

Hydrogen Bonds ◽

Formic Acid ◽

Ab Initio ◽

Model System ◽

Low Barrier Hydrogen Bonds ◽

Ab Initio And Dft

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Can Proton-Shared or Ion-Pair N−H−N Hydrogen Bonds Be Produced in Uncharged Complexes? A Systematic ab Initio Study of the Structures and Selected NMR and IR Properties of Complexes with N−H−N Hydrogen Bonds

The Journal of Physical Chemistry A ◽

10.1021/jp0129176 ◽

2001 ◽

Vol 105 (48) ◽

pp. 10906-10914 ◽

Cited By ~ 14

Author(s):

Justin S. -S. Toh ◽

Meredith J. T. Jordan ◽

Barry C. Husowitz ◽

Janet E. Del Bene

Keyword(s):

Hydrogen Bonds ◽

Ab Initio ◽

Ion Pair ◽

Ab Initio Study

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