Thermodynamics of 6-amino -1-methyluracil
DOI:
https://doi.org/10.55544/jrasb.4.5.19Keywords:
Thermodynamics functions, 6-amino -1-methyluracil, Hartree-Fock, Density functional theoryAbstract
Computation of thermodynamic functions, viz. enthalpy, heat capacity, free energy function, and entropy for 6-amino -1-methyluracil have been carried out based on vibrational frequencies obtained from IR and Raman spectra, and the results are briefly discussed.
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[1] Sbrana, Y. A. (1974). Spectrochimica Acta Part A: Molecular Spectroscopy, 30(A), 1801.
[2] Nejad, F. M., & Stidham, H. D. (1975). Spectrochimica Acta Part A: Molecular Spectroscopy, 31(A), 1433.
[3] Goel, R. K., & Sharma, S. N. (1980). Indian Journal of Pure and Applied Physics, 18, 195.
[4] Allenstein, E., Kimele, P., Weldin, J., & Podszun, W. (1977). Spectrochimica Acta Part A: Molecular Spectroscopy, 33(A), 189.
[5] Job, V. A., & Kartha, S. B. (1977). Proceedings of the Indian Academy of Sciences, 85(A), 476.
[6] Goel, R. K., Sanyal, N. K., & Srivastava, S. L. (1976). Indian Journal of Pure and Applied Physics, 14, 842.
[7] Sbrana, G., Adenbri, G., & Califano, S. (1966). Spectrochimica Acta, 22, 1831.
[8] Lord, R. C., Marson, A. J., & Miller, F. A. (1957). Spectrochimica Acta, 9, 113.
[9] Itto, M., Shimada, R., Kurashi, T., & Mizushima. (1956). The Journal of Chemical Physics, 25, 597.
[10] Simmons, J. D., & Innes, K. K. (1964). Journal of Molecular Spectroscopy, 13, 435.
[11] Handschumacher, R. E., & Welch, A. D. (1960). The nucleic acids. In The Nucleic Acids (Vol. III, p. 453). Academic Press.
[12] Teotia, J., Kumar, S., Surbhi, Kumar, R., & Yadav, M. K. (2016). Asian Journal of Chemistry, 28, 2204.
[13] Ding, Y., Mahraban, N., Szymczyk, M., Parrillo-Chapman, L., El-Shafei, A., & Freeman, H. S. (2019). Journal of Molecular Structure, 1181, 109.
[14] Akbari, A., Ghateazadeh, H., Takjoo, R., Sadeghi-Nejad, B., Mehrvar, M., & Mague, J. T. (2019). Journal of Molecular Structure, 1181, 287.
[15] Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G. A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H. P., Izmaylov, A. F., Bloino, J., Zheng, G., Sonnenberg, J. L., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Montgomery, J. A., Jr., Peralta, J. E., Ogliaro, F., Bearpark, M. J., Heyd, J. J., Brothers, E., Kudin, K. N., Staroverov, V. N., Keith, T., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A., Burant, S. S., Iyengar, S. S., Tomasi, J., Cossi, M., Rega, N., Millam, J. M., Klene, M., Knox, J. E., Cross, J. B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R. E., Yazyev, O., Austin, A. J., Cammi, R., Pomelli, M., Ochterski, J. W., Martin, R. L., Morokuma, V. G., Zakrzewski, V. G., Voth, G. A., Salvador, P., Dannenberg, J. J., Dapprich, S., Daniels, A. D., Farkas, O., Foresman, J. B., Ortiz, J. V., Cioslowski, J., & Fox, D. J. (2013). Gaussian 09, Revision D.01. Gaussian, Inc.
[16] Lee, C., Yang, W., & Parr, R. G. (1998). Physical Review B, 37, 785.
[17] Becke, A. D. (1998). The Journal of Chemical Physics, 98, 5648.
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