FT-IR, FT-Raman, NMR spectra, density functional computations of the vibrational assignments (for monomer and dimer) and molecular geometry of anticancer drug 7-amino-2-methylchromone

FT-Raman, FT-IR and NMR spectra, vibrational assignments and density functional studies of 1,3-bis(benzimidazol-2-yl)-2-thiapropane ligand and its Zn(II) halide complexes

Structural Chemistry ◽

10.1007/s11224-007-9238-y ◽

2007 ◽

Vol 19 (1) ◽

pp. 21-32 ◽

Cited By ~ 9

Author(s):

Naz Mohammed Aghatabay ◽

Metin Tulu ◽

Mehmet Somer ◽

Durata Haciu ◽

Ayberk Yilmaz

Keyword(s):

Density Functional ◽

Nmr Spectra ◽

Ir And Nmr Spectra ◽

Vibrational Assignments ◽

Functional Studies ◽

Halide Complexes ◽

Ft Ir ◽

Ab initio, density functional computations, FT-IR, FT-Raman and molecular geometry of 4-morpholine carbonitrile

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.09.081 ◽

2013 ◽

Vol 101 ◽

pp. 148-155 ◽

Cited By ~ 5

Author(s):

R. John Xavier ◽

S. Ashok Raj

Keyword(s):

Ab Initio ◽

Density Functional ◽

Molecular Geometry ◽

Ft Ir ◽

Ft Raman ◽

FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra, molecular geometry, conformational stability and some molecular properties of 1-Bromo-2,3-dimethoxynaphthalene

Journal of Molecular Structure ◽

10.1016/j.molstruc.2014.04.022 ◽

2014 ◽

Vol 1074 ◽

pp. 51-61 ◽

Cited By ~ 3

Author(s):

G. Mariappan ◽

N. Sundaraganesan

Keyword(s):

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Conformational Stability ◽

Molecular Geometry ◽

Molecular Properties ◽

Ft Ir ◽

Ft Raman ◽

FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of 2-hydroxyquinoxaline

Journal of Molecular Structure ◽

10.1016/j.molstruc.2009.10.035 ◽

2010 ◽

Vol 963 (2-3) ◽

pp. 194-201 ◽

Cited By ~ 9

Author(s):

Şenay Yurdakul ◽

Turgay Polat

Keyword(s):

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Molecular Geometry ◽

Ft Ir ◽

Ft Raman ◽

FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of butylated hydroxy toluene

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2011.03.034 ◽

2011 ◽

Vol 79 (3) ◽

pp. 562-569 ◽

Cited By ~ 31

Author(s):

P. Chinna Babu ◽

N. Sundaraganesan ◽

Ö. Dereli ◽

E. Türkkan

Keyword(s):

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Molecular Geometry ◽

Ft Ir ◽

Ft Raman ◽

FT-IR, FT-Raman, Molecular Geometry, Vibrational Assignments, Ab-Initio and Density Functional Theory Calculations for 4-hydroxy-2,6-dimethyl pyrimidine

International Journal of Science and Research (IJSR) ◽

10.21275/art20163751 ◽

2017 ◽

Vol 6 (1) ◽

pp. 483-496

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Molecular Geometry ◽

Functional Theory ◽

Vibrational Assignments ◽

Ft Ir ◽

FT-IR and FT-Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometry, atomic charges and some molecular properties of the biomolecule 5-iodouracil

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.10.003 ◽

2010 ◽

Vol 940 (1-3) ◽

pp. 29-44 ◽

Cited By ~ 17

Author(s):

V.K. Rastogi ◽

M. Alcolea Palafox ◽

A. Guerrero-Martínez ◽

G. Tardajos ◽

J.K. Vats ◽

...

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Molecular Geometry ◽

Molecular Properties ◽

Atomic Charges ◽

Ft Ir ◽

Ft Raman ◽

FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of biomolecule 5-aminouracil

Chemical Physics ◽

10.1016/j.chemphys.2007.07.032 ◽

2007 ◽

Vol 340 (1-3) ◽

pp. 17-31 ◽

Cited By ~ 86

Author(s):

M. Alcolea Palafox ◽

G. Tardajos ◽

A. Guerrero-Martínez ◽

V.K. Rastogi ◽

D. Mishra ◽

...

Keyword(s):

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Molecular Geometry ◽

Ft Ir ◽

Ft Raman ◽

FTIR and FT Raman, molecular geometry, vibrational assignments, ab initio and density functional theory calculations for 1,5-methylnaphthalene

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2010.09.002 ◽

2010 ◽

Vol 77 (5) ◽

pp. 1099-1107 ◽

Cited By ~ 31

Author(s):

P.B. Nagabalasubramanian ◽

S. Periandy

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Molecular Geometry ◽

Functional Theory ◽

Vibrational Assignments ◽

Erratum to “FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine” [Spectrochim. Acta Part A 61 (2005) 2995–3001]

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2005.10.003 ◽

2005 ◽

Vol 62 (1-3) ◽

pp. 753 ◽

Cited By ~ 1

Author(s):

N. Sundaraganesan ◽

S. Ilakiamani ◽

H. Saleem ◽

Piotr. M. Wojciechowski ◽

Danuta Michalska

Keyword(s):

Ir Spectra ◽

Density Functional ◽

Vibrational Assignments ◽

Functional Studies ◽

Ft Ir ◽