References
- H.S. Frank and W.Y. Wen, Discuss. Faraday Soc. 24, 133 (1957).
- D. Hankins, J.W. Moskowitz, and F.H. Stillinger, Chem. Phys. Lett. 4, 527 (1970).
- D. Hankins, J.W. Moskowitz, and F.H. Stillinger, J. Chem. Phys. 53, 4544 (1970).
- A.S. Reddy, D. Vijay, G.M. Sastry, and G.N. Sastry, J. Phys. Chem. B. 110, 2479 (2006).
- A.S. Reddy, D. Vijay, G.M. Sastry, and G.N. Sastry, J. Phys. Chem. B. 110, 10206 (2006).
- D. Vijay and G.N. Sastry, Chem. Phys. Lett. 485, 235 (2010).
- A.S. Mahadevi, Y.I. Neela, and G.N. Sastry, Phys. Chem. Chem. Phys. 13, 15211 (2011).
- A.S. Mahadevi, Y.I. Neela, and G.N. Sastry, J. Chem. Sci. 124, 35 (2012).
- A.S. Mahadevi and G.N. Sastry, Chem. Rev. 113, 2100 (2013).
- A.S. Mahadevi and G.N. Sastry, Int. J. Quantum Chem. 114, 145 (2014).
- B. Skwara, W. Bartkowiak, A. Zawada, R.W. Góra, and J. Leszczynski, Chem. Phys. Lett. 436, 116 (2007).
- D. Vijay, H. Zipse, and G.N. Sastry, J. Phys. Chem. B. 112, 8863 (2008).
- D. Escudero, A. Frontera, D. Quiñonero, and P.M. Deyà, Chem. Phys. Lett. 456, 257 (2008).
- C. Estarellas, A. Frontera, D. Quiñonero, and P.M. Deyà, Chem. Phys. Lett. 479, 316 (2009).
- C. Estarellas, A. Frontera, D. Quiñonero, I. Alkorta, P.M. Deyà, and J. Elguero, J. Phys. Chem. A. 113, 3266 (2009).
- I. Alkorta, F. Blanco, P.M. Deyà, J. Elguero, C. Estarellas, A. Frontera, and D. Quiñonero, Theor. Chem. Acc. 126, 1 (2010).
- A. Mandal, M. Prakash, R.M. Kumar, R. Parthasarathi, and V. Subramanian, J. Phys. Chem. A. 114, 2250 (2010).
- L.R. Rutledge, C.D.M. Churchill, and S.D. Wetmore, J. Phys. Chem. B. 114, 3355 (2010).
- M. Domagała, P. Matczak, and M. Palusiak, Comput. Theor. Chem. 998, 26 (2012).
- J. Yang and M.P. Waller, J. Phys. Chem. A. 117, 174 (2013).
- S.J. Grabowski, Theor. Chem. Acc. 132, 1347 (2013).
- Q. Li, Q. Lin, W. Li, J. Cheng, B. Gong, and J. Sun, ChemPhysChem. 9, 2265 (2008).
- A. Frontera, D. Quiñonero, C. Garau, A. Costa, P. Ballester, and P.M. Deyà, J. Phys. Chem. A. 110, 9307 (2006).
- A. Frontera, D. Quinonero, A. Costa, P. Ballester, and P.M. Deyà,New J. Chem. 31, 556 (2007).
- Q.-Z. Li, T. Hu, X.-L. An, B.-A. Gong, and J.-B. Cheng, ChemPhysChem. 9, 1942 (2008).
- B. Gong, B. Jing, Q. Li, Z. Liu, W. Li, J. Cheng, Q. Zheng, and J. Sun, Theor. Chem. Acc. 127, 303 (2010).
- J.E.H. Koehler, W. Saenger, and B. Lesyng, J. Comput. Chem. 8, 1090 (1987).
- S. Suhai, J. Chem. Phys. 101, 9766 (1994).
- J.K. Gregory and D.C. Clary, J. Phys. Chem. 100, 18014 (1996).
- M.P. Hodges, A.J. Stone, and S.S. Xantheas, J. Phys. Chem. A. 101, 9163 (1997).
- J.M. Pedulla, K. Kim, and K.D. Jordan, Chem. Phys. Lett. 291, 78 (1998).
- A. Milet, R. Moszynski, P.E.S. Wormer, and A. van der Avoird, J. Phys. Chem. A. 103, 6811 (1999).
- C.H. Burnham, J. Li, S.S. Xantheas, and M. Leslie, J. Chem. Phys. 110, 4566 (1999).
- S.S. Xantheas, J. Chem. Phys. 100, 7523 (1994).
- S.S. Xantheas, Chem. Phys. 258, 225 (2000).
- G. Chalasinski and M.M. Szczesniak, Chem. Rev. 94, 1723 (1994).
- L. Rincón, R. Almeida, and D.G. Aldea, Int. J. Quantum Chem. 102, 443 (2005).
- K. Ohno, M. Okimura, N. Akai, and Y. Katsumoto, Phys. Chem. Chem. Phys. 7, 3005 (2005).
- T. Kar and S. Scheiner, J. Phys. Chem. A. 108, 9161 (2004).
- V.S. Znamenskiy and M.E. Green, J. Chem. Theory Comput. 3, 103 (2007).
- Y.I. Neela, A.S. Mahadevi, and G.N. Sastry, J. Phys. Chem. B. 114, 17162 (2010).
- A.S. Reddy, H. Zipse, and G.N. Sastry, J. Phys. Chem. B. 111, 11546 (2007).
- M. Chourasia, G.M. Sastry, and G.N. Sastry, Int. J. Biol. Macromol. 48, 540 (2011).
- A.S. Mahadevi, A.P. Rahalkar, S.R. Gadre, and G.N. Sastry, J. Chem. Phys. 133, 164308 (2010).
- D. Bing, T. Hamashima, A. Fujii, and J. -L. Kuo, J. Phys. Chem. A. 114, 8170 (2010).
- R.W. Gora, W. Bartkowiak, S. Roszak, and J. Leszczynski, J. Chem. Phys. 117, 1031 (2002).
- T.C. Dinadayalane, L. Gorb,T. Simeon, and H. Dodziuk, Int. J. Quantum Chem.107, 2204 (2007).
- T. Inoue, Y. Shiota, and K. Yoshizawa, J. Am. Chem. Soc. 130, 16890 (2008).
- T.C. Dinadayalane and J. Leszczynski, J. Chem. Phys. 130, 081101 (2009).
- J. Yang and M.P. Waller, J. Phys. Chem. A. 117, 174 (2013).
- M. Waller and S. Grimme, in Handbook of Computational Chemistry, edited by J. Leszczynski (Springer-Verlag, Berlin Heidelberg, 2012) p. 443.
- S.J. Garbonski and J. Leszczynski, Chem. Phys. 355, 169 (2009).
- R. Wieczorek and J.J. Dannenberg, J. Am. Chem. Soc. 125, 8124 (2003).
- R. Wieczorek and J.J. Dannenberg, J. Am. Chem. Soc. 125, 14065 (2003).
- Y.F. Chen, R. Viswanathan, and J.J. Dannenberg, J. Phys. Chem. B. 111, 8329 (2007).
- S. Maheshwary, N. Patel, N. Sathyamurthy, A.D. Kulkarni, and S.R. Gadre, J. Phys. Chem. A. 105, 10525 (2001).
- J.A. Carrazana-García, J. Rodríguez-Otero, and E.M. Cabaleiro-Lago, J. Phys. Chem. B. 116, 5860 (2012).
- S. Saha and G.N. Sastry, J. Phys. Chem. B. (2015) doi:10.1021/acs.jpcb.5b03005.
- S.F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople Gaussian 09, Revision A.02, (Gaussian Inc., Wallingford, CT, 2009).
- S.S. Xantheas and T.H. Dunning Jr, J. Chem. Phys. 99, 8774 (1993).
- B.G. de Oliveira, Phys. Chem. Chem. Phys. 15, 37 (2013).
- N. Kobko and J.J. Dannenberg, J. Phys. Chem. A. 107, 6688 (2003).
- O. Mó, M. Yáñez, and J. Elguero, J. Chem. Phys. 97, 6628 (1992).
- F. Biegler-Konig, J. Schonbohm, R. Derdau, D. Bayles, and R.F.W. Bader, AIM2000 Version 1 (Büro für Innovative Software, Bielefeld, Germany, 2000).
- R.S. Mulliken, J. Chem. Phys. 23, 1833 (1955).