References
- Arjunan, V., Santhanam, R., Subramanian, S., & Mohan, S. (2013). Primidone – An antiepileptic drug – Characterisation by quantum chemical and spectroscopic (FTIR, FT-Raman, 1H, 13C NMR and UV–visible) investigations. Spectrochimica Acta Part A, 109, 282–297.10.1016/j.saa.2013.03.025
- Becke, A. D. (1993). Density-functional thermochemistry. III. The role of exact exchange. The Journal of Chemical Physics, 98, 5648–5652.10.1063/1.464913
- Boys, S. F., & Bernardi, F. (1970). The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors. Molecular Physics, 19, 553–556.10.1080/00268977000101561
- Brodie, M. J., & Dichter, M. A. (1996). Antiepileptic drugs. New England Journal of Medicine, 334, 168–175.
- Castro, J. L., Ramirez, M. R. L., Arenas, J. F., & Otero, J. C. (2005). Vibrational spectra of 3-phenylpropionic acid and L-phenylalanine. Journal of Molecular Structure, 744–747, 887–891.10.1016/j.molstruc.2004.10.098
- Colarusso, P., Zhang, K., Bujin, K, & Bernath, P. F. (1997). The infrared spectra of uracil, thymine, and adenine in the gas phase. Chemical Physics Letters, 269, 39–48.10.1016/S0009-2614(97)00245-5
- Elkin, P. M., Erman, M. A., & Pulin, O. V. (2006). Analysis of vibrational spectra of uracil methyl-substituted in anharmonic approximation. Journal of Applied Spectroscopy, 73, 431–436.
- Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R. … Pople, J. A. (2004). Gaussian 03, Revision C. 02. Wallingford, CT: Gaussian, Inc.
- Paulraj, E. I., & Muthu, S. (2013). Molecular structure analysis and spectroscopic characterization of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations. Spectrochimica Acta Part A, 106, 310–320.10.1016/j.saa.2013.01.048
- Istvan, K. (2002). Simirra, A program for simulation of IR and Raman Spectra. Budapest: Chemical Research Center. (It was obtained from Dr. Gabor Keresztury in Chemical Research Center in Budapest).
- James, C., Ravikumar, C., Jayakumara, V. S., & Joe, I. H. (2008). Vibrational spectra and potential energy distributions for 1-benzyl-1H-imidazole by normal coordinate analysis. Journal of Raman Specroscopy, 40, 537–545.
- Katzung, B. G. (1989). Basic and clinical pharmacology. Norwalk, CT: Appleton & Lange, a publishing division of Prentice-Hall.
- Keresztury, G., Holly, S., Varga, J., Besenyei, G., Wang, A. Y., & Durig, J. R. (1993). Vibrational spectra of monothiocarbamates-II. IR and Raman spectra, vibrational assignment, conformational analysis and ab-initio calculations of S-methyl-N,N-dimethylthiocarbamate. Spectrochimica Acta Part A, 49, 2007–2017.10.1016/S0584-8539(09)91012-1
- Mendham, A. P., Dines, T. J., Snowden, M. J., Withnall, R., & Chowdhry, B. Z. (2009). IR/Raman spectroscopy and DFT calculations of cyclic di-amino acid peptides. Part III: comparison of solid state and solution structures of cyclo(L-Ser-L-Ser). Journal of Raman Spectroscopy, 40, 1508–1520.10.1002/jrs.v40:11
- Michalska, D., & Wysokinski, R. (2005). The prediction of Raman spectra of platinum(II) anticancer drugs by density functional theory. Chemical Physics Letters, 403, 211–217.10.1016/j.cplett.2004.12.096
- Payne, R. S., Roberts, R. J., Rowe, R. C., & Docherty, R. (1999). Examples of successful crystal structure prediction: Polymorphs of primidone and progesterone. International Journal of Pharmaceutics, 177, 231–245.10.1016/S0378-5173(98)00348-2
- Payne, R. S., Roberts, R. J., Rowe, R. C., McPartlin, M., & Bashal, A. (1996). The mechanical properties of two forms of primidone predicted from their crystal structures. International Journal of Pharmaceutics, 145, 165–173.10.1016/S0378-5173(96)04760-6
- Platteau, C., Lefebvre, J., Hemon, S., Baehtz, C., Danede, F., & Prevost, D. (2005). Structure determination of forms I and II of phenobarbital from X-ray powder diffraction. Acta Crystallographica Section B, 61, 80–88.10.1107/S0108768104031143
- Pulay, P., Fogarasi, G., Pongor, G., Boggs, J. E., & Vargha, A. (1983). Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene. Journal of the American Chemical Society, 105, 7037–7047.10.1021/ja00362a005
- Sundius, T. (1990). Molvib – A flexible program for force field calculations. Journal of Molecular Structure, 218, 321–326. (T. Sundius, MOLVIB 7.0, QCPE Program No. 807, (2002)). 10.1016/0022-2860(90)80287-T
- Sundius, T. (2002). Scaling of ab initio force fields by MOLVIB. Vibrational Spectroscopy, 29, 89–95.10.1016/S0924-2031(01)00189-8
- Susi, H., & Ard, J. S. (1970). Vibrational spectra of nucleic acid constituents – I: Planar vibrations of uracil. Spectrochimica Acta Part A, 27, 1549–1562.
- Yeates, D. G. R., & Palmer, R. A. (1975). The crystal structure of primidone. Acta Crystallographica Section B, 31, 1077–1082.10.1107/S0567740875004530
- Zesiewicz, T. A., Shaw, J. D., Allison, K. G., Staffetti, J. S., Okun, M. S., & Sullivan, K. L. (2013). Update on treatment of essential tremor. Current Treatment Options in Neurology, 15, 410–423.10.1007/s11940-013-0239-4
- Zhang, G., & Musgrave, C. B. (2007). Comparison of DFT Methods for molecular orbital eigen value calculations. The Journal of Physical Chemistry A, 111, 1554–1561.10.1021/jp061633o