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DFT study of the molecular and crystal structure and vibrational analysis of cisplatin

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2017-04, Vol.176, p.58-66

2017

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Lanthanide and transition metal complexes of bioactive coumarins: Molecular modeling and spectroscopic studies

Journal of inorganic biochemistry, 2014-06, Vol.135, p.100-112

2014

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Bonding Analyses, Formation Energies, and Vibrational Properties of M−R2dtc Complexes (M = Ag(I), Ni(II), Cu(II), or Zn(II))

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-12, Vol.111 (50), p.13075-13087

2007

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First principles study of structure and properties of La- and Mn-modified BiFeO3

Solid state sciences, 2012-07, Vol.14 (7), p.782-788

2012

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Excited State Properties of 7-Hydroxy-4-methylcoumarin in the Gas Phase and in Solution. A Theoretical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-12, Vol.109 (51), p.11860-11869

2005

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DFT modeling and spectroscopic study of metal–ligand bonding in La(III) complex of coumarin-3-carboxylic acid

Chemical physics, 2006-09, Vol.327 (2), p.209-219

2006

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Molecular structure and spectroscopic studies on novel complexes of coumarin-3-carboxylic acid with Ni(II), Co(II), Zn(II) and Mn(II) ions based on density functional theory

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2011-12, Vol.84 (1), p.275-285

2011

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Coordination Properties of the Oxime Analogue of Glycine to Cu(II)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-06, Vol.109 (25), p.5668-5676

2005

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Vibrational and theoretical study of coumarin-3-carboxylic acid binding mode in Ce(III) and Nd(III) complexes

Vibrational spectroscopy, 2007-05, Vol.44 (1), p.78-88

2007

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Raman, FT-IR and DFT studies of ortho-, meta- and para-pyridinomethylene substituted di(4-hydroxy-coumarin) and their Ce(III), La(III) and Nd(III) complexes

Journal of Raman spectroscopy, 2006-07, Vol.37 (7), p.742-754

2006

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Characteristic Raman and IR bands of 3,3′-benzylidenebis(4-hydroxycoumarin) and its La(III), Ce(III) and Nd(III) complexes

Journal of Raman spectroscopy, 2006-08, Vol.37 (8), p.808-815

2006

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X-ray structures, solid state periodic DFT modeling and vibrational study of alkylenediammonium hexachlorostannates compounds NH3(CH2)nNH3SnCl6 (n = 3, 4, 5)

Journal of molecular structure, 2019-02, Vol.1177, p.55-67

2019

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Effect of the metal⋯metal interactions on the absorption properties of Pt(II) and Pd(II) complexes of glyoxilic acid oxime in solution and solid state: Theoretical and experimental study

Journal of photochemistry and photobiology. A, Chemistry., 2013-09, Vol.267, p.35-48

2013

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Solid state DFT modeling and vibrational characterisation of butylenediammonium and hexylenediammonium hexafluorosilicate, NH3(CH2)nNH3SiF6 (n=4 and 6)

Vibrational spectroscopy, 2017-01, Vol.88, p.83-93

2017

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Countercurrent chromatography in analytical chemistry (IUPAC Technical Report)

Pure and applied chemistry, 2009-01, Vol.81 (2), p.355-387

2009

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A review of the paper ‘Some insights into the dynamics of defective structures’ by J. A. Brandon

Proceedings of the Institution of Mechanical Engineers. Part C, Journal of mechanical engineering science, 2009-01, Vol.223 (1), p.157-174

Trendafilova, I N

2009

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Theoretical and spectroscopic evidence for coordination ability of 3,3′-benzylidenedi-4-hydroxycoumarin. New neodymium (III) complex and its cytotoxic effect

Journal of inorganic biochemistry, 2005-02, Vol.99 (2), p.477-487

2005

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Bonding Analyses, Formation Energies, and Vibrational Properties of M−R 2 dtc Complexes (M = Ag(I), Ni(II), Cu(II), or Zn(II))

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-12, Vol.111 (50), p.13075-13087

2007

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Solid state DFT modeling and vibrational characterisation of butylenediammonium and hexylenediammonium hexafluorosilicate, NH^sub 3^(CH^sub 2^)^sub n^NH^sub 3^SiF^sub 6^ (n = 4 and 6)

Vibrational spectroscopy, 2017-01, Vol.88, p.83

2017

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IR study of the N, N′, N″-triphenylguanidine and its imine nitrogen coordinated Pd(II) complexes

Vibrational spectroscopy, 2001-12, Vol.27 (2), p.153-164

2001

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Molecular Spectral Analysis and Ab Initio Calculations of bis(3-aminopyridinium) Tetrachlorocuprate (II), 3-Ammoniumpyridinium Tetrachlorocuprate (II), and bis(3-aminopyridinium) Hexachlorodicuprate (II)

Spectroscopy letters, 2015-11, Vol.48 (10), p.705-711

Trendafilova, Elena N.

2015

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Spectroscopic and theoretical study of Cu(II), Zn(II), Ni(II), Co(II) and Cd(II) complexes of glyoxilic acid oxime

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2006-02, Vol.63 (2), p.403-415

2006

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Conformational stability and vibrational spectrum of glyoxilic acid oxime predicted from ab initio study

Journal of molecular structure, 2002-02, Vol.604 (2), p.211-220

2002

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Comprehensive DFT and MO studies on glyoxilic acid oxime and related ions in gas phase and solution: Conformations, basicities and acidities

Chemical physics, 2006-02, Vol.321 (3), p.311-324

2006

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Vibrational study of new Pt(II) and Pd(II) complexes with functionalized nitrogen-containing tertiary phosphine oxides. Ab initio study of ortho-, meta- and para-dimethylphosphinylmethyleneoxyaniline

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2003, Vol.59 (1), p.169-192

2003

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DFT study of the molecular and crystal structure and vibrational analysis of cisplatin

Lanthanide and transition metal complexes of bioactive coumarins: Molecular modeling and spectroscopic studies

Bonding Analyses, Formation Energies, and Vibrational Properties of M−R2dtc Complexes (M = Ag(I), Ni(II), Cu(II), or Zn(II))

First principles study of structure and properties of La- and Mn-modified BiFeO3

Excited State Properties of 7-Hydroxy-4-methylcoumarin in the Gas Phase and in Solution. A Theoretical Study

DFT modeling and spectroscopic study of metal–ligand bonding in La(III) complex of coumarin-3-carboxylic acid

Molecular structure and spectroscopic studies on novel complexes of coumarin-3-carboxylic acid with Ni(II), Co(II), Zn(II) and Mn(II) ions based on density functional theory

Coordination Properties of the Oxime Analogue of Glycine to Cu(II)

Vibrational and theoretical study of coumarin-3-carboxylic acid binding mode in Ce(III) and Nd(III) complexes

Raman, FT-IR and DFT studies of ortho-, meta- and para-pyridinomethylene substituted di(4-hydroxy-coumarin) and their Ce(III), La(III) and Nd(III) complexes

Characteristic Raman and IR bands of 3,3′-benzylidenebis(4-hydroxycoumarin) and its La(III), Ce(III) and Nd(III) complexes

X-ray structures, solid state periodic DFT modeling and vibrational study of alkylenediammonium hexachlorostannates compounds NH3(CH2)nNH3SnCl6 (n = 3, 4, 5)

Effect of the metal⋯metal interactions on the absorption properties of Pt(II) and Pd(II) complexes of glyoxilic acid oxime in solution and solid state: Theoretical and experimental study

Solid state DFT modeling and vibrational characterisation of butylenediammonium and hexylenediammonium hexafluorosilicate, NH3(CH2)nNH3SiF6 (n=4 and 6)

Countercurrent chromatography in analytical chemistry (IUPAC Technical Report)

A review of the paper ‘Some insights into the dynamics of defective structures’ by J. A. Brandon

Theoretical and spectroscopic evidence for coordination ability of 3,3′-benzylidenedi-4-hydroxycoumarin. New neodymium (III) complex and its cytotoxic effect

Bonding Analyses, Formation Energies, and Vibrational Properties of M−R 2 dtc Complexes (M = Ag(I), Ni(II), Cu(II), or Zn(II))

Solid state DFT modeling and vibrational characterisation of butylenediammonium and hexylenediammonium hexafluorosilicate, NH^sub 3^(CH^sub 2^)^sub n^NH^sub 3^SiF^sub 6^ (n = 4 and 6)

IR study of the N, N′, N″-triphenylguanidine and its imine nitrogen coordinated Pd(II) complexes

Molecular Spectral Analysis and Ab Initio Calculations of bis(3-aminopyridinium) Tetrachlorocuprate (II), 3-Ammoniumpyridinium Tetrachlorocuprate (II), and bis(3-aminopyridinium) Hexachlorodicuprate (II)

Spectroscopic and theoretical study of Cu(II), Zn(II), Ni(II), Co(II) and Cd(II) complexes of glyoxilic acid oxime

Conformational stability and vibrational spectrum of glyoxilic acid oxime predicted from ab initio study

Comprehensive DFT and MO studies on glyoxilic acid oxime and related ions in gas phase and solution: Conformations, basicities and acidities

Vibrational study of new Pt(II) and Pd(II) complexes with functionalized nitrogen-containing tertiary phosphine oxides. Ab initio study of ortho-, meta- and para-dimethylphosphinylmethyleneoxyaniline

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