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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 120, 2022 - Issue 4
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Research Articles

Theoretical study on mechanism of decomposition reaction of 1,2,4-triazole derivatives

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Article: e1994666 | Received 06 Sep 2021, Accepted 12 Oct 2021, Published online: 27 Oct 2021

References

  • S. Cudziło, M. Nita and J. Hazard, Mater. 177 (1-3), 146–149 (2010).
  • C. Xu, J. Zhang, X. Yin and Z. Cheng, Inorg. Chem. 55 (1), 322–329 (2016).
  • M.A. Kumar, P. Ashutosh and A.A. Vargeese, J. Phys. Chem. A. 123, 4014–40203 (2019).
  • Y. Qu and S.P. Babailov, J. Mater. Chem. A. 6, 1915–1940 (2018).
  • I. Dániel, M.K. Thomas and P. Carolin, Dalton. Trans. 44 (39), 17054–17063 (2015).
  • J. Jia, Y. Pang, J. Yang, M. Li, X. Meng, X. Gao, L. Liu and M. Liu, Chinese. J. Struc. Chem.  40 (9), 1113–1121 (2021).
  • B. Yuan, Z. Yu and E.R. Bernstein, J. Chem. Phys. 140 (11), 034120 (2014).
  • A.A. Dippold and T.M. Klapoetke, Am. Chem. Soc. 135, 9931–9938 (2013).
  • V.G. Kiselev and N.P. Gritsan, J. Phys. Chem. A. 118, 8002–8008 (2014).
  • Q. Zhai, X. Wu, S. Chen, Z. Zhao and C. Lu, Inorg. Chem. 46 (12), 5046–5058 (2007).
  • K. Yang, D. Cao, Y. Li, J. Wang and D. Wang, Chem. Intermediate. 10, 15–18 (2010).
  • P. Yin, D.A. Parrish and J.M. Shreeve, Angew. Chem. Int. Edit. 53 (47), 12889–12892 (2014).
  • T.M. Klapötke, D.G. Piercey and J. Stierstorfer, Dalton. Trans. 41, 9451–9459 (2012).
  • D.M. Badgujara, M.B. Talawarb, S.N. Asthanab, P.P. Mahulikar and J. Hazard, Mater. 151, 289–305 (2008).
  • H. Zhao, Y. Yang, X. Shu, Y. Wang, S. Wu and Q. Ran, Comp. Mater. Sci. 152, 43–50 (2018).
  • E. Alvareda, P.A. Denis, F. Iribarne and M. Paulino, Comp. Theor. Chem. 1091, 18–23 (2016).
  • T. Giroday, M.M. Montero-Campillo and N. Mora-Diez, Comp. Theor. Chem. 1046, 81–92 (2014).
  • 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, 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, Gaussian09, Revision A.02 (Gaussian, Inc., Wallingford, CT, USA, 2009).
  • T. Lu and F. Chen, J. Comp. Chem. 33 (5), 580–592 (2012).
  • W. Humphrey, A. Dalke and K. Schulten, J. Mol. Graphics. 14 (1), 33–38 (1996).
  • T. Lu, Q. Chen and Z. Liu, Carbon. N. Y. 165, 461–467 (2020).
  • S. Canneaux, F. Bohr and E. Henon, J. Comp. Chem. 35 (1), 82–93 (2013).
  • Q. Wang, M. Sun and J. Liang, Int. J. Mol. Sci. 20 (6), 1275 (2019).
  • J. Wu, F. Khaled, H. Ning, L. Ma, A. Farooq and W. Ren, J. Phys. Chem. A. 121 (33), 6304–6313 (2017).
  • C. Eckart, Phys. Rev. 35 (11), 1303–1309 (1930).
  • J.P. Merrick, D. Moran and L. Radom, J. Phys. Chem. A. 111 (45), 11683–11700 (2007).
  • Y. Wang, D. Sheng, F. Ma, Y. Zhu, L. Chen and B. Yang, Initlators. Pyrotechnics. 3, 14–18 (2009).
  • D.N. Lande and S.P. Gejji, J. Phys. Chem. A. 120 (37), 7385–7397 (2016).
  • D.S. Arputharaj, V.R. Hathwar, T.N. Guru Row and P. Kumaradhas, Cryst. Growth. Des. 12 (9), 4357–4366 (2012).
  • J.S. Murray, P. Lane and P. Politzer, Mol. Phys. 85 (1), 1–8 (1995).
  • P. Politzer and J.S. Murray, J. Mol. Struc. 376 (1), 419–424 (1996).
  • W. Lei, C. Lv, Y. Liu and N. Li, Comp. Appl. Chem. 35 (2), 167–174 (2018).
  • T. Lu and F. Chen, J. Mol. Graph. Model. 38, 314–323 (2012).
  • A.V. Kimmel, P.V. Sushko, A.L. Shluger and M.M. Kuklja, J. Chem. Phys. 126 (23), 234711 (2007).
  • M. Lu, P. Zhou, Y. Yang, J. Liu, B. Jin and K. Han, J. Chem. Phys. 124 (15), 2951–2960 (2020).
  • M. Tabatabaee, M.A. Sharif, M. Ghassemzadeh and M. Shahriyari, J. Chem. Crystal. 41 (2), 127–131 (2011).
  • I. Azab, H.S. El-Sheshtawy, R.B. Bakr and N.A.A. Elkanzi, Molecules. 26 (3), 708 (2021).
  • X. Zhang and P. He, Univ. Chem. 36, 1–5 (2021).

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