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4-Methylurazole
Ryall, John P., Dines, Trevor J., Chowdhry, Babur Z., Leharne, Stephen A. and Withnall, Robert (2010) Vibrational spectra and structures of urazole and 4-methylurazole: DFT calculations of the normal modes in aqueous solution and in the solid state, and the influence of hydrogen bonding. Chemical Physics, 373 (3). pp. 219-227. ISSN 0301-0104 (doi:10.1016/j.chemphys.2010.05.014)
DFT
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)(3)](2+) and [Ru(bpy)(3)](2+) complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
Ryall, John P., Dines, Trevor J., Chowdhry, Babur Z., Leharne, Stephen A. and Withnall, Robert (2010) Vibrational spectra and structures of urazole and 4-methylurazole: DFT calculations of the normal modes in aqueous solution and in the solid state, and the influence of hydrogen bonding. Chemical Physics, 373 (3). pp. 219-227. ISSN 0301-0104 (doi:10.1016/j.chemphys.2010.05.014)
FTIR spectroscopy
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)(3)](2+) and [Ru(bpy)(3)](2+) complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
IR
Ryall, John P., Dines, Trevor J., Chowdhry, Babur Z., Leharne, Stephen A. and Withnall, Robert (2010) Vibrational spectra and structures of urazole and 4-methylurazole: DFT calculations of the normal modes in aqueous solution and in the solid state, and the influence of hydrogen bonding. Chemical Physics, 373 (3). pp. 219-227. ISSN 0301-0104 (doi:10.1016/j.chemphys.2010.05.014)
metal complexes
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)(3)](2+) and [Ru(bpy)(3)](2+) complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
normal coordinate analysis
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)(3)](2+) and [Ru(bpy)(3)](2+) complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
quantum chemistry
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)(3)](2+) and [Ru(bpy)(3)](2+) complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
raman
Ryall, John P., Dines, Trevor J., Chowdhry, Babur Z., Leharne, Stephen A. and Withnall, Robert (2010) Vibrational spectra and structures of urazole and 4-methylurazole: DFT calculations of the normal modes in aqueous solution and in the solid state, and the influence of hydrogen bonding. Chemical Physics, 373 (3). pp. 219-227. ISSN 0301-0104 (doi:10.1016/j.chemphys.2010.05.014)
resonance Raman spectroscopy
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)(3)](2+) and [Ru(bpy)(3)](2+) complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
Alexander, Bruce D., Dines, Trevor J. and Longhurst, Rayne W. (2008) DFT calculations of the structures and vibrational spectra of the [Fe(bpy)3]2+ and [Ru(bpy)3]2+ complexes. Chemical Physics, 352 (1-3). pp. 19-27. ISSN 0301-0104 (doi:10.1016/j.chemphys.2008.05.010)
Urazole
Ryall, John P., Dines, Trevor J., Chowdhry, Babur Z., Leharne, Stephen A. and Withnall, Robert (2010) Vibrational spectra and structures of urazole and 4-methylurazole: DFT calculations of the normal modes in aqueous solution and in the solid state, and the influence of hydrogen bonding. Chemical Physics, 373 (3). pp. 219-227. ISSN 0301-0104 (doi:10.1016/j.chemphys.2010.05.014)