Hydrogen bonds between hydrogen fluoride and aromatic azines: An ab initio study

Victor H. Rusu; Mozart N. Ramos; João Bosco P. Da Silva

doi:10.1002/qua.21084

Hydrogen bonds between hydrogen fluoride and aromatic azines: An ab initio study

International Journal of Quantum Chemistry ◽

10.1002/qua.21084 ◽

2006 ◽

Vol 106 (13) ◽

pp. 2811-2817 ◽

Cited By ~ 17

Author(s):

Victor H. Rusu ◽

Mozart N. Ramos ◽

João Bosco P. Da Silva

Keyword(s):

Hydrogen Bonds ◽

Ab Initio ◽

Hydrogen Fluoride ◽

Ab Initio Study

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Erratum: The second hyperpolarizability of HCl and the effect of basis set variation on this property in hydrogen fluoride by fully coupled Hartree–Fock perturbation theory with a method for circumventing the transformation of two‐electron integrals. An ab initio study [J. Chem. Phys. 85, 2831 (1986)]

The Journal of Chemical Physics ◽

10.1063/1.455748 ◽

1988 ◽

Vol 89 (6) ◽

pp. 3931-3931

Author(s):

J. Waite ◽

M. G. Papadopoulos

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Hydrogen Fluoride ◽

Chem Phys ◽

Basis Set ◽

Ab Initio Study ◽

Second Hyperpolarizability ◽

Hartree Fock ◽

Fully Coupled

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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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Vibrational spectrum modifications of the hydrogen fluoride due to complexation with aromatic azines. An ab initio study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2006.11.031 ◽

2007 ◽

Vol 834-836 ◽

pp. 253-257 ◽

Cited By ~ 1

Author(s):

Victor H. Rusu ◽

João Bosco P. da Silva ◽

Mozart N. Ramos

Keyword(s):

Vibrational Spectrum ◽

Ab Initio ◽

Hydrogen Fluoride ◽

Ab Initio Study

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Ab initio study of the cyclopropane–hydrogen fluoride dimer

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9918701293 ◽

1991 ◽

Vol 87 (9) ◽

pp. 1293-1296 ◽

Cited By ~ 5

Author(s):

John Simon Craw ◽

Marco Antonio Chaer Nascimento ◽

Mozart N. Romos

Keyword(s):

Ab Initio ◽

Hydrogen Fluoride ◽

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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An ab initio study of the complexes of hydrogen fluoride with the chloromethanes

The Journal of Physical Chemistry ◽

10.1021/j100140a020 ◽

1993 ◽

Vol 97 (38) ◽

pp. 9650-9656 ◽

Cited By ~ 17

Author(s):

Janet E. Del Bene ◽

Howard D. Mettee

Keyword(s):

Ab Initio ◽

Hydrogen Fluoride ◽

Ab Initio Study

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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 the Hydrogen Bonding between Pyrrole and Hydrogen Fluoride: A Comparison of NH···F and FH···π Interactions

The Journal of Physical Chemistry A ◽

10.1021/jp9633254 ◽

1997 ◽

Vol 101 (10) ◽

pp. 1982-1988 ◽

Cited By ~ 16

Author(s):

J. C. Jiang ◽

M.-H. Tsai

Keyword(s):

Hydrogen Bonding ◽

Ab Initio ◽

Hydrogen Fluoride ◽

Ab Initio Study ◽

Π Interactions

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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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