Description of the potential energy surface of the water dimer with an artificial neural network

Chemical Physics Letters

Volumn 271, Issue 1-3, 1997, Pages 152-156

  No, Kyoung Tai ^a   Chang, Byung Ha ^a   Kim, Su Yeon ^a   Jhon, Mu Shik ^b   Scheraga, Harold A ^c  

^a Soongsil University   (South Korea)

^b Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

^c Cornell University ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031555986     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0009-2614(97)00448-x     Document Type: Article

References (17)

1. [1] O. Matsuoka, E. Clementi, M. Yoshimine, J. Chem. Phys. 64 (1976) 1351.
2. [2] (a) F.H. Stillinger, A. Rahman, J. Chem. Phys. 60 (1974) 1545.
3. (b) F.H. Stillinger, A. Rahman, J. Chem. Phys. 68 (1978) 666.
4. (c) T.A. Weber, F.H. Stillinger, J. Phys. Chem. 86 (1982) 1314.
5. [3] J.R. Reimers, R.O. Watts, M.L. Klein, Chem. Phys. 64 (1982) 95.
6. [4] (a) W.L. Jorgensen, J. Chem. Phys. 77 (1982) 4156.
7. (b) W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, M.L. Klein, J. Chem. Phys. 79 (1983) 926.
8. [5] C. Millot, A.J. Stone, Mol. Phys. 77 (1992) 439.
9. [6] (a) M. Sprik and M.L. Klein, J. Chem. Phys. 89 (1988) 7556.
10. (b) M. Sprik, J. Chem. Phys. 95 (1991) 6762.
11. [7] U. Niesar, G. Corongiu, E. Clementi, G.R. Kneller, D.K. Bhattacharya, J. Phys. Chem. 94 (1990) 7949.
12. [8] (a) L.X. Dang and J.E. Rice, J. Caldwell, P.A. Kollman, J. Am. Chem. Soc. 113 (1991) 2481.
13. (b) L.X. Dang, J. Chem. Phys. 97 (1992) 2659.
14. [9] S.W. Rick, S.J. Stuart, B.J. Berne, J. Chem. Phys 101 (1994) 6141.
15. [10] J. Zupan, J. Gasteiger, Neural Networks for Chemists: An Introduction, (VCH Publishers, Weinheim, 1993).
16. [11] J. Gasteiger, X. Li, C. Rudolph, J. Sadowski, J. Zupan, J. Am. Chem. Soc. 116 (1994) 4608.
17. [12] J. Kim, J.Y. Lee, S. Lee, B.J. Mhin, K.S. Kim, J. Chem. Phys. 102 (1995) 310.