Identyfikatory
Warianty tytułu
Języki publikacji
Abstrakty
Paper reports densities, ultrasonic velocities, and refractive indices of aqueous solutions of meclofenamic acid sodium salt (Na-MCF). Densities, ultrasonic velocities, and refractive indices have been measured at (298.15, 303.15, 308.15, and 313.15) K and at atmospheric pressure. Limiting molar volume and limiting molar isentropic compressibility have been calculated. DFT method has been used for computation of dipole moment, free energy, hydration free energy, and HOMO and LUMO energies of Na-MCF. Gas phase properties have been computed by the use of G09 W Software.
Rocznik
Tom
Strony
124--131
Opis fizyczny
Binbliogr. 14 poz., rys., tab.
Twórcy
autor
- Chemistry Department, RNC Arts, JDB Commerce, and NSC Science College, Nashik Road, Nashik, India
Bibliografia
- [1] S. J. Kharat, Thermochimica Acta 566 (2013) 124-129.
- [2] S. J. Kharat, Physics and Chemistry of Liquids 52 (2014) 7-16.
- [3] S. J. Kharat, International Journal of Thermophysics 31 (2010) 585-594.
- [4] R.G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford) University Press, London, 1989.
- [5] A.D. Becke, J. Chem. Phys. 98 (1993) 5648-5652.
- [6] E. Cances, B. Mennucci, J. Tomasi, J. Chem. Phys. 107 (1997) 3032-3241.
- [7] E. Cances and B. Mennucci, J. Math. Chem. 23 (1998) 309-326.
- [8] D. Masson, Phil. Mag. 8 (1929) 218-223.
- [9] A.F. Scott, J. Phys. Chem. 35 (1931) 2315-2329.
- [10] W. Geffcken, Zeit. Phys.Chem. A155 (1931) 1-28.
- [11] H.S. Harned, B.B. Owen, The Physical Chemistry of Electrolytic Solutions, 3rd ed., ACS Monograph No. 137, Reinhold Publishing Corp, New York, 1958.
- [12] D.W. Kupke, Physical Principles and Techniques of Physical Chemistry, Part C Academic Press, New York, 1973.
- [13] H.S. Harned, B.B. Owned, Physical Chemistry of Electrolyte Solutions, Chapman and Hall, London, 1957.
- [14] Gaussian 09, Revision C.01, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox, Gaussian, Inc.,Wallingford, CT, 2010.
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-96100490-116a-4955-974b-8922e1c010c1