Ab initio and DFT studies of the vibrational spectra of hydrogen-bonded PhOH…(H2O)4 complexes

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2004.01.026 ◽

2004 ◽

Vol 60 (13) ◽

pp. 3049-3057 ◽

Author(s):

Yordanka Dimitrova

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Dft Studies ◽

Ab Initio And Dft ◽

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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Structure and vibrational spectrum of the hydrogen-bonded system between 4-tert-butylphenol and N-bases: Ab initio and DFT studies

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.02.026 ◽

2008 ◽

Vol 69 (2) ◽

pp. 517-523 ◽

Author(s):

Yordanka Dimitrova

Keyword(s):

Vibrational Spectrum ◽

Ab Initio ◽

Dft Studies ◽

Ab Initio And Dft ◽

Hydrogen Bonded

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Molecular structural conformations and hydration of internally hydrogen-bonded salicylic acid: Ab initio and DFT studies

International Journal of Quantum Chemistry ◽

10.1002/qua.20467 ◽

2005 ◽

Vol 103 (2) ◽

pp. 127-139 ◽

Author(s):

K. Anandan ◽

P. Kolandaivel ◽

R. Kumaresan

Keyword(s):

Salicylic Acid ◽

Ab Initio ◽

Dft Studies ◽

Ab Initio And Dft ◽

Hydrogen Bonded

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Ab initio and DFT studies of the molecular structures and vibrational spectra of succinonitrile

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.05.026 ◽

2007 ◽

Vol 66 (4-5) ◽

pp. 1133-1140 ◽

Author(s):

Yunusa Umar ◽

M.A. Morsy

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Molecular Structures ◽

Dft Studies ◽

Ab Initio And Dft

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Ab initio and DFT studies of the structure, stability and vibrational spectrum of the hydrogen-bonded (CH3)2O⋯HONO2 complex

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.05.032 ◽

2004 ◽

Vol 683 (1-3) ◽

pp. 65-70 ◽

Author(s):

Yordanka Dimitrova ◽

Jordan A. Tsenov

Keyword(s):

Vibrational Spectrum ◽

Ab Initio ◽

Structure Stability ◽

Dft Studies ◽

Ab Initio And Dft ◽

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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Ab initio and DFT studies on vibrational spectra of some halides of group IIIB elements

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2004.11.042 ◽

2005 ◽

Vol 62 (1-3) ◽

pp. 1-10 ◽

Author(s):

Yu Zhang ◽

Jianying Zhao ◽

Guodong Tang ◽

Longgen Zhu

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Dft Studies ◽

Ab Initio And Dft

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Ab initio and DFT studies of the structure and vibrational spectra of anhydrous caffeine

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.06.005 ◽

2013 ◽

Vol 115 ◽

pp. 45-50 ◽

Author(s):

Santosh K. Srivastava ◽

Vipin B. Singh

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Dft Studies ◽

Ab Initio And Dft

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Ab initio and DFT studies on vibrational spectra of some mixed carbonyl-halide complexes of ruthenium(II)

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2004.04.025 ◽

2005 ◽

Vol 61 (4) ◽

pp. 697-706 ◽

Author(s):

Yu Zhang ◽

Jianying Zhao ◽

Guodong Tang ◽

Longgen Zhu

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Dft Studies ◽

Halide Complexes ◽

Ab Initio And Dft

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Ab initio and DFT studies of the vibrational spectra of benzofuran and some of its derivatives

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.01.045 ◽

2006 ◽

Vol 65 (5) ◽

pp. 1125-1130 ◽

Author(s):

V.B. Singh

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Dft Studies ◽

Ab Initio And Dft

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