Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
ACS symposium series, 712 Combined Quantum Mechanical and Molecular Mechanical Methods; J. Gao and M. A. Thompson, Eds.; ACS, Washington DC, 1998; M. Orozco and F. J. Luque, Chem. Rev., 100, 4187 (2000).
J. Tomasi and M. Persico, Chem. Rev., 94, 2027 (1994); C. J. Cramer and D. G. Truhlar, Chem. Rev., 99, 2161 (1999).
J. Gao, Acc. Chem. Res., 29, 298 (1996).
F. Hirata, H. Sato, S. Ten-no and S. Kato, in M. A. Thompson, Eds.; ACS, Washington DC, 1998 [1]; F. Hirata, H. Sato, S. Ten-no and S. Kato, ‘The RISM-SCF/MCSCF Approach for the Chemical Processes in Solutions’, in Computational Biochemistry and Biophysics; Oren M. Becker, Alexander D. MacKerell, Jr., Benoit Roux, Masakatsu Watanabe, Eds.; Marcel Dekker Inc., New York, 2001.
for example, see A. Szabo and N. S. Ostlund, ‘Modern Quantum Chemistry,’ Macmillan Publishing Co. Inc., 1982.
M. W. Wong, M. J. Frish and K. B. Wiberg, J. Am. Chem. Soc., 113 (4776, 1991).
H. L. Friedman, Mol. Phys., 29, 1533 (1974).
M. Andersson and G. Karlström, J. Phys. Chem., 89, 4957 (1985).
H. Sato and S. Kato, J. Mol. Struct.(THEOCHEM), 310, 67 (1994).
A. Klamt and G. Schüürmann, J. Chem. Soc., Perkin Trans. II, 799 (1993).
S. Ten-no, F. Hirata and S. Kato, Chem. Phys. Lett., 214, 391 (1993); S. Ten-no, F. Hirata and S. Kato, J. Chem. Phys., 100, 7443 (1994).
H. Sato, F. Hirata and S. Kato, J. Chem. Phys., 105, 1546 (1996).
S. J. Singer and D. Chandler, Mol. Phys., 55, 621 (1985).
M Kawata, S Ten-no, S Kato and F Hirata, J. Am. Chem. Soc., 117, 1638 (1995); M Kawata, S Ten-no, S Kato and F Hirata, Chem. Phys., 203, 53 (1996).
H. Sato and F. Hirata, J. Am. Chem. Soc., 121, 3460 (1999).
H. Sato and F. Hirata, J. Phys. Chem. A, 102, 2603 (1998); H. Sato and F. Hirata, J. Phys. Chem. B, 103, 6596 (1999).
H. Sato and F. Hirata, J. Mol. Struct.(THEOCHEM), 461–462, 113 (1999).
T. Ishida, F. Hirata and S. Kato, J. Chem. Phys., 110, 3938 (1999).
K. Naka, H. Sato, A. Morita, F. Hirata and S. Kato, Theor. Chem. Acc., 102, 165 (1999).
Y. Harano, H. Sato and F. Hirata, J. Am. Chem. Soc., 122, 2289 (2000); Y. Harano, H. Sato and F. Hirata, Chem. Phys., 258, 151 (2000).
S.-H. Chong, S. Miura, G. Basu, F. Hirata, J. Phys. Chem., 99, 10526 (1995); S.-H. Chong, F. Hirata, Mol. Simulation, 16, 3 (1996); S.-H. Chong, F. Hirata, J. Chem. Phys., 106, 5225 (1997); S.-H. Chong, F. Hirata, Chem. Phys. Lett., 293, 119 (1998); R. Akiyama, M. Kinoshita, F. Hirata, Chem. Phys. Lett., 305, 251 (1999).
H. Sato and F. Hirata, J. Phys. Chem. A, 106, 2300 (2002).
T. Yamazaki, H. Sato and F. Hirata, Chem. Phys., 325, 668 (2000); T. Yamazaki, H. Sato and F. Hirata, J. Chem. Phys., 115, 8949 (2001).
M. Nakahara and C. Wakai, Chem. Lett., 809 (1992); M. Nakahara, DENKI KAGAKU (in Japanese), 62, 108 (1994).
H. Sato, A. Kovalenko and F. Hirata, J. Chem. Phys., 112, 9463 (2000).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2004 Springer Science + Business Media, Inc.
About this chapter
Cite this chapter
Sato, H. (2004). Electronic Structure and Chemical Reaction in Solution. In: Hirata, F. (eds) Molecular Theory of Solvation. Understanding Chemical Reactivity, vol 24. Springer, Dordrecht. https://doi.org/10.1007/1-4020-2590-4_2
Download citation
DOI: https://doi.org/10.1007/1-4020-2590-4_2
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-1562-5
Online ISBN: 978-1-4020-2590-7
eBook Packages: Springer Book Archive