Skip to main content
Have a personal or library account? Click to login
Investigation of hydrogen bonding between nitrosamine and sulfuric acid using Density Functional Theory Cover

Investigation of hydrogen bonding between nitrosamine and sulfuric acid using Density Functional Theory

Open Access
|Sep 2014

References

  1. [1]. M. Kanakidou, J H Seinfeld, S N Pandis, I.Barnes, F J Dentener, M C Facchini, R Van Dingenen, B Ervens, A Nenes, C J Nielsen, E Swietlicki, J P Putaud, Y Balkanski, S Fuzzi, J Horth, G K Moortgat, R Winterhalter, C E L Myhre, K. Tsigaridis, E Vignati and E G Stephanou, J. Atmos. Chem. Phys1053-1123 (2005)
  2. [2]. J Zhao, A Khalizov and R Zhang, J. Phys. Chem. A, 680-689 (2009)
  3. [3]. T. Kurten, M R Sundberg, H Vehkama1ki, M Noppel, J Blomqvist and M Kulmala, J. Phys. Chem. A, 7178-7188 (2006)
  4. [4]. B Wanno and V Ruangpornvisuti,, 159-164, (2006)
  5. [5]. S Bavafa, R Behjatmanesh-Ardakani and F F Mashhadi, J. Mol. Struct. (THEOCHEM),, 15-21 (2010)
  6. [6]. H Roohi, A Nowroozi, S Bavafa, F Akbary and F Eshghi, Int J Quantum Chem,, 1972-1981 (2010)
  7. [7]. F Murad, Angew Chem Int Ed, 1856 (1999)
  8. [8]. P Jiang, Q Ximei, L Chunhui, Q Chunhui and W Dianxun, Chem Phys Lett, 508-512 (1997)
  9. [9]. C Lee, W Yang and R G Parr, Phys. Rev. B, 785-789 (1988)
  10. [10]. A D Becke, J. Chem. Phys,1372 (1993)
  11. [11]. P J Stephens, F J Devlin, C F Chabalowski and M J Frisch, J. Phys. Chem, 11623 (1994)
  12. [12]. A D Becke, J Chem Phys1372 (1993)
  13. [13]. J P Perdew, K Burke and Y Wang, Phys Rev B, 16533 (1996)
  14. [14]. J P Perdew, K Burke, in Joubert D. (Ed) Density Functional Theory and Applications; Springer: Berlin, 1998.
  15. [15]. R Krishnan, J S Binkley, R Seeger and J A Pople, J. Chem. Phys650-654 (1980)
  16. [16]. J P Blaudeau, M P McGrath, L A Curtiss and L Radom, J. Chem. Phys, 5016-5021 (1997)
  17. [17]. T H Dunning, J. Chem. Phys, 1007-1024 (1989)
  18. [18]. D E Woon and T H Dunning, J. Chem. Phys, 1358-1371 (1993)
  19. [19]. S F Boys, and F. Bernardi, Mol Phys, 553 (1990)
  20. [20]. E D Glendening, A E Reed, J E Carpenter, and F Weinhold NBO, Version 3.1
  21. [21]. M J Frisch, et al., Gaussian 03, Revision B03, Gaussian Inc., Pittsburgh PA, 2003.
  22. [22]. R F W Bader, Atoms in Molecules. A Quantum Theory, Clarendon Press, Oxford, 1990.
  23. [23]. R F W Bader and H Essen, J Chem Phys, 1943 (1994)
  24. [24]. F Biegler-Konig, J Schonbohm and D Bayles, J Comp Chem545 (2001)
  25. [25]. P Lu, G Q Liu and J C Li, J. Mol. Struct. Theochem, 95 (2005)
  26. [26]. S J Grabowski, J. Phys. Org. Chem., 18 (2004)
  27. [27]. P L A Popelier, F M Aicken and S E O’Brien, Atoms in molecules. In Chemical Modelling: Applications and Theory, A. Hinchliffe (Ed) The Royal Society of Chemistry, London, 2000, Vol. 1, Chapter 3, pp. 143.
  28. [28]. P L A Popelier and P J Smith, Quantum topological atoms, The Royal Society of Chemistry, London, 2002
  29. [29]. U Koch and P L A Popelier, J. Chem. Phys, 9747-9754 (1995)
  30. [30]. A Reed, L A Curtiss and F Weinhold, Chem. Rev, 899-926 (1988)
DOI: https://doi.org/10.2478/auoc-2014-0001 | Journal eISSN: 2286-038X (formerly 1223-7221) | Journal ISSN: 1583-2430 (formerly 1223-7221)
Language: English
Page range: 5 - 10
Submitted on: Aug 5, 2013
Published on: Sep 12, 2014
Published by: Ovidius University of Constanta
In partnership with: Paradigm Publishing Services
Related subjects:

© 2014 Sadeghali Bavafa, Mona Mahboubi, published by Ovidius University of Constanta
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.