Structures and Vibrational Spectra of the Hydrogen-Bonded Complexes Between Nitrous Acid and Acetone:Ab Initioand DFT Studies

Spectroscopy Letters ◽

10.1080/00387010903334557 ◽

2010 ◽

Vol 43 (4) ◽

pp. 282-289 ◽

Author(s):

Yordanka Dimitrova

Keyword(s):

Vibrational Spectra ◽

Nitrous Acid ◽

Dft Studies ◽

Bonded Complexes ◽

Hydrogen Bonded

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Solvent effects on vibrational spectra of hydrogen-bonded complexes of propanedinitrile (malononitrile) and dimethyl sulfoxide (DMSO): Ab initio and DFT studies

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2007.08.017 ◽

2007 ◽

Vol 823 (1-3) ◽

pp. 65-73 ◽

Author(s):

Yordanka Dimitrova ◽

Lalka I. Daskalova

Keyword(s):

Ab Initio ◽

Dimethyl Sulfoxide ◽

Vibrational Spectra ◽

Solvent Effects ◽

Dft Studies ◽

Ab Initio And Dft ◽

Bonded Complexes ◽

Hydrogen Bonded

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Vibrational frequencies and infrared intensities of the hydrogen-bonded complexes of nitrous acid with ethers: ab initio and DFT studies

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2004.07.038 ◽

2005 ◽

Vol 61 (9) ◽

pp. 2095-2102 ◽

Author(s):

Yordanka Dimitrova ◽

Iva Slavova

Keyword(s):

Ab Initio ◽

Nitrous Acid ◽

Vibrational Frequencies ◽

Dft Studies ◽

Infrared Intensities ◽

Ab Initio And Dft ◽

Bonded Complexes ◽

Hydrogen Bonded

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Crystal structure, vibrational spectra and DFT studies of hydrogen bonded 1,2,4–triazolium hydrogenselenate

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.05.107 ◽

2017 ◽

Vol 1145 ◽

pp. 211-221 ◽

Author(s):

V. Arjunan ◽

S. Thirunarayanan ◽

M.K. Marchewka ◽

S. Mohan

Keyword(s):

Crystal Structure ◽

Vibrational Spectra ◽

Dft Studies ◽

Hydrogen Bonded

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Rationalizing the Strength of Hydrogen-Bonded Complexes. Ab Initio HF and DFT Studies

The Journal of Physical Chemistry A ◽

10.1021/jp0145154 ◽

2002 ◽

Vol 106 (29) ◽

pp. 6775-6782 ◽

Author(s):

Oleg Lukin ◽

Jerzy Leszczynski

Keyword(s):

Ab Initio ◽

Dft Studies ◽

Ab Initio Hf ◽

Bonded Complexes ◽

Hydrogen Bonded

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Vibrational spectra of hydrogen-bonded complexes on zeolite surfaces as a benchmark for evaluating performance of ab initio methods. Complex with the pyridinium ion

Journal of Molecular Structure ◽

10.1016/0022-2860(95)08802-3 ◽

1995 ◽

Vol 349 ◽

pp. 435-438 ◽

Author(s):

Jan Florián ◽

Ludmila Kubelková ◽

Josef Kotrla

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Ab Initio Methods ◽

Pyridinium Ion ◽

Bonded Complexes ◽

Hydrogen Bonded

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Solvent effects on vibrational spectra of hydrogen-bonded complexes of formaldehyde and water: an ab initio study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04812-9 ◽

1997 ◽

Vol 391 (3) ◽

pp. 251-257 ◽

Author(s):

Yordanka Dimitrova

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Solvent Effects ◽

Ab Initio Study ◽

Bonded Complexes ◽

Hydrogen Bonded

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Comment on “Rationalizing the Strength of Hydrogen-Bonded Complexes. Ab Initio HF and DFT Studies”

The Journal of Physical Chemistry A ◽

10.1021/jp027782y ◽

2003 ◽

Vol 107 (43) ◽

pp. 9250-9250 ◽

Author(s):

Hans-Jörg Schneider

Keyword(s):

Ab Initio ◽

Dft Studies ◽

Ab Initio Hf ◽

Bonded Complexes ◽

Hydrogen Bonded

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Reply to Comment on “Rationalizing the Strength of Hydrogen-Bonded Complexes. Ab Initio HF and DFT Studies”

The Journal of Physical Chemistry A ◽

10.1021/jp031002j ◽

2003 ◽

Vol 107 (43) ◽

pp. 9251-9252 ◽

Author(s):

Oleg Lukin ◽

Jerzy Leszczynski

Keyword(s):

Ab Initio ◽

Dft Studies ◽

Ab Initio Hf ◽

Bonded Complexes ◽

Hydrogen Bonded

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Theoretical study on the structures and vibrational spectra of the H2SO4–(CO2)x (x=1, 2) hydrogen bonded complexes

Chemical Physics Letters ◽

10.1016/s0009-2614(03)00768-1 ◽

2003 ◽

Vol 374 (5-6) ◽

pp. 577-582 ◽

Author(s):

Agnieszka J. Bieńko ◽

Zdzisław Latajka

Keyword(s):

Vibrational Spectra ◽

Theoretical Study ◽

Bonded Complexes ◽

Hydrogen Bonded

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Vibrational Spectra of Hydrogen Bonded Complexes Between Acetophenone and Some Phenol Derivatives

Spectroscopy Letters ◽

10.1080/00387017708064991 ◽

1977 ◽

Vol 10 (7) ◽

pp. 593-602 ◽

Author(s):

C. Thijs ◽

Th. Zeegers-Huyskens

Keyword(s):

Vibrational Spectra ◽

Phenol Derivatives ◽

Bonded Complexes ◽

Hydrogen Bonded

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