DOI: 10.1007/bf00547749. On a possible catalytic effect of water on some nucleophilic substitution reactions in ?Inert? solvents

On a possible catalytic effect of water on some nucleophilic substitution reactions in ?Inert? solvents

10.1007/bf00547749

Crossref journal-article

Springer Science and Business Media LLC

Theoretica Chimica Acta (297)

Bibliography

Alagona, G., Scrocco, E., & Tomasi, J. (1978). On a possible catalytic effect of water on some nucleophilic substitution reactions inâ¯?Inert? solvents. Theoretica Chimica Acta, 47(2), 133â145.

Authors 3

Giuliano Alagona (first)
Eolo Scrocco (additional)
Jacopo Tomasi (additional)

References 56 Referenced 21

Joesten, M. D., Schaad, L. J.: Hydrogen bonding. New York, N.Y.: M. Dekker 1974 / Hydrogen bonding by M. D. Joesten (1974)
Kollman, P. A., Allen, L. C.: Chem. Rev. 72, 283 (1972) (10.1021/cr60277a004) / Chem. Rev. by P. A. Kollman (1972)
Pimentel, G. C., McClellan, A. L.: Ann. Rev. Phys. Chem. 22, 347 (1971) (10.1146/annurev.pc.22.100171.002023) / Ann. Rev. Phys. Chem. by G. C. Pimentel (1971)
Alagona, G., Scrocco, E., Tomasi, J.: J. Am. Chem. Soc. 97, 6976 (1975) (10.1021/ja00857a006) / J. Am. Chem. Soc. by G. Alagona (1975)
Ditchfield, R., Hehre, W. J., Pople, J. A.: J. Chem. Phys. 54, 724 (1971) (10.1063/1.1674902) / J. Chem. Phys. by R. Ditchfield (1971)
Silla, E., Scrocco, E., Tomasi, J.: Theoret. Chim. Acta (Berl.) 40, 343 (1975) (10.1007/BF00668339) / Theoret. Chim. Acta (Berl.) by E. Silla (1975)
Topp, W. C., Allen, L. C.: J. Am. Chem. Soc. 96, 5291 (1974) (10.1021/ja00823a066) / J. Am. Chem. Soc. by W. C. Topp (1974)
Kollman, P. A., McKelvey, J., Johansson, A., Rothenberg, S.: J. Am. Chem. Soc. 97, 955(1975) (10.1021/ja00838a001) / J. Am. Chem. Soc. by P. A. Kollman (1975)
Johansson, A., Kollman, P. A., Rothenberg, S.: Theoret. Chim. Acta (Berl.) 29, 167 (1973) (10.1007/BF00529439) / Theoret. Chim. Acta (Berl.) by A. Johansson (1973)
Kollman, P. A., Johansson, A., Rothenberg, S.: Chem. Phys. Letters 24, 199 (1974) (10.1016/0009-2614(74)85432-1) / Chem. Phys. Letters by P. A. Kollman (1974)
Lathan, W. A., Curtiss, L. A., Hehre, W. J., Lisle, J. B., Pople, J. A.: Progr. Phys. Org. Chem. 11, 175 (1974) (10.1002/9780470171905.ch3) / Progr. Phys. Org. Chem. by W. A. Lathan (1974)
Del Bene, J. E., Pople, J. A.: J. Chem. Phys. 55, 2296 (1971) (10.1063/1.1676408) / J. Chem. Phys. by J. E. Bene Del (1971)
Curtiss, L. A., Pople, J. A.: J. Mol. Spectry. 61, l (1976) (10.1016/0022-2852(76)90376-3) / J. Mol. Spectry. by L. A. Curtiss (1976)
Dill, J. D., Allen, L. C., Topp, W. C., Pople, J. A.: J. Am. Chem. Soc. 97, 7220 (1975) (10.1021/ja00858a004) / J. Am. Chem. Soc. by J. D. Dill (1975)
Kollman, P. A., Allen, L. C.: J. Chem. Phys. 52, 5085 (1970) (10.1063/1.1672746) / J. Chem. Phys. by P. A. Kollman (1970)
von Niessen, W.: Theoret. Chim. Acta (Berl.) 31, 297 (1973) (10.1007/BF00527557) / Theoret. Chim. Acta (Berl.) by W. Niessen von (1973)
Yarkony, D. R., O'Neil, S. V., Schaefer III, H. F., Baskin, C. P., Bender, C. F.: J. Chem. Phys. 60, 855 (1974) (10.1063/1.1681161) / J. Chem. Phys. by D. R. Yarkony (1974)
Diercksen, G. H. F., Kraemer, W. P.: Chem. Phys. Letters 6, 419 (1970) (10.1016/0009-2614(70)85181-8) / Chem. Phys. Letters by G. H. F. Diercksen (1970)
Lischka, H.: J. Am. Chem. Soc. 96, 4761 (1974) (10.1021/ja00822a006) / J. Am. Chem. Soc. by H. Lischka (1974)
Allen, L. C., Kollman, P. A.: J. Am. Chem. Soc. 92, 4108 (1970) (10.1021/ja00716a050) / J. Am. Chem. Soc. by L. C. Allen (1970)
Franck, E. U., Meyer, F.: Z. Elektrochem. 63, 571 (1959) / Z. Elektrochem. by E. U. Franck (1959)
Dyke, T. R., Howard, B. J., Klemperer, W.: J. Chem. Phys. 56, 2442 (1969) (10.1063/1.1677553) / J. Chem. Phys. by T. R. Dyke (1969)
Smith, D. F.: J. Mol. Spectry. 3, 473 (1959) (10.1016/0022-2852(59)90042-6) / J. Mol. Spectry. by D. F. Smith (1959)
Hehre, W. J., Ditchfield, R., Pople, J. A.: J. Chem. Phys. 56, 2257 (1972) (10.1063/1.1677527) / J. Chem. Phys. by W. J. Hehre (1972)
Rank, D. H., Sitaram, P., Glickman, W. A., Wiggins, T. A.: J. Chem. Phys. 39, 2673 (1963) (10.1063/1.1734080) / J. Chem. Phys. by D. H. Rank (1963)
Allen, L. A.: J. Am. Chem. Soc. 97, 6921 (1975) (10.1021/ja00857a001) / J. Am. Chem. Soc. by L. A. Allen (1975)
Noble, P. N., Kortzeborn, R. N.: J. Chem. Phys. 52, 5375 (1970) (10.1063/1.1672788) / J. Chem. Phys. by P. N. Noble (1970)
McLean, A. D., Yoshimine, M.: Tables of linear molecule wave functions. San Jose, Calif: IBM Research 1967 / Tables of linear molecule wave functions by A. D. McLean (1967)
Støgard, A., Strich, A., Almlöf, J., Roos, B.: Chem. Phys. 8, 405 (1975) (10.1016/0301-0104(75)80151-0) / Chem. Phys. by A. Støgard (1975)
Waddington, T. C.: Trans. Faraday Soc. 54, 25 (1958) (10.1039/tf9585400025) / Trans. Faraday Soc. by T. C. Waddington (1958)
Harrell, S. A., McDaniel, D. H.: J. Am. Chem. Soc. 86, 4497 (1964) (10.1021/ja01074a061) / J. Am. Chem. Soc. by S. A. Harrell (1964)
Diercksen, G. H. F., Kraemer, W. P.: Chem. Phys. Letters 5, 570 (1970) (10.1016/0009-2614(70)85049-7) / Chem. Phys. Letters by G. H. F. Diercksen (1970)
Kistenmacher, H., Popkie, H., Clementi, E.: J. Chem. Phys. 59, 5842 (1973) (10.1063/1.1679952) / J. Chem. Phys. by H. Kistenmacher (1973)
Diercksen, G. H. F., Kraemer, W. P., Roos, B. O.: Theoret. Chim. Acta (Berl.) 36, 249 (1975) (10.1007/BF00549690) / Theoret. Chim. Acta (Berl.) by G. H. F. Diercksen (1975)
Arshadi, M., Yamdagni, R., Kebarle, P.: J. Phys. Chem. 74, 1475 (1970) (10.1021/j100702a014) / J. Phys. Chem. by M. Arshadi (1970)
Piela, L.: Chem. Phys. Letters 19, 134 (1973) (10.1016/0009-2614(73)87081-2) / Chem. Phys. Letters by L. Piela (1973)
McDaniel, D. H., Vallée, R. E.: Inorg. Chem. 2, 996 (1963) (10.1021/ic50009a028) / Inorg. Chem. by D. H. McDaniel (1963)
Yamdagni, R., Kebarle, P.: J. Am. Chem. Soc. 93, 7139 (1971) (10.1021/ja00755a003) / J. Am. Chem. Soc. by R. Yamdagni (1971)
Cotter, R. J., Koski, W. S.: J. Chem. Phys. 59, 784 (1973) (10.1063/1.1680090) / J. Chem. Phys. by R. J. Cotter (1973)
Chong, S. L., Myers, R. A., Franklin, J. L.: J. Chem. Phys. 56, 2427 (1972) (10.1063/1.1677551) / J. Chem. Phys. by S. L. Chong (1972)
Beauchamp, J. L., Holtz, D., Woodgate, S. D., Patt, S. L.: J. Am. Chem. Soc. 94, 2798 (1972) (10.1021/ja00763a044) / J. Am. Chem. Soc. by J. L. Beauchamp (1972)
Johansson, A., Kollman, P. A., Liebman, J. F., Rothenberg, S.: J. Am. Chem. Soc. 96, 3750 (1974) (10.1021/ja00819a006) / J. Am. Chem. Soc. by A. Johansson (1974)
Pople, J. A., Binkley, J. S.: Mol. Phys. 29, 599 (1975) (10.1080/00268977500100511) / Mol. Phys. by J. A. Pople (1975)
Haney, M. A., Franklin, J. L.: J. Phys. Chem. 73, 4329 (1969) (10.1021/j100846a049) / J. Phys. Chem. by M. A. Haney (1969)
Wild, U. P., Ha, T. K., Raggio, G. A., Keller, H. U., Brunner, P. O.: Helv. Chim. Acta 58, 696 (1975) (10.1002/hlca.19750580307) / Helv. Chim. Acta by U. P. Wild (1975)
Lamaty, G., Malog, R., Selve, C., Sivade, A., Wylde, J.: J. Chem. Soc. Perkin II, 1119 (1975) (10.1039/p29750001119) / J. Chem. Soc. Perkin by G. Lamaty (1975)
Nelson, R. D., Lide, D. R., Maryott, A. A.: U.S. Dept. Com., Nat. Bur. Std., NSRDS-NBS 10 (1967)
Lathan, W. A., Hehre, W. J., Curtiss, L. A., Pople, J. A.: J. Am. Chem. Soc. 93, 6377 (1971) (10.1021/ja00753a007) / J. Am. Chem. Soc. by W. A. Lathan (1971)
Bevan, J. W., Legon, A. C., Millen, D. J., Rogers, S. C.: Chem. Commun. 130, 341 (1975) (10.1039/c39750000341) / Chem. Commun. by J. W. Bevan (1975)
Cade, P. E., Huo, W. M.: J. Chem. Phys. 47, 614 (1967) (10.1063/1.1711938) / J. Chem. Phys. by P. E. Cade (1967)
Clementi, E., McLean, A. D.: Phys. Rev. 133A, 419 (1964) (10.1103/PhysRev.133.A419) / Phys. Rev. by E. Clementi (1964)
Selected values of chemical thermodynamic properties, NBS Technical Note N. 270-3. Washington, D.C.: U.S. Government Printing Office 1968
Berry, R. S.: Chem. Rev. 69, 533 (1969) (10.1021/cr60260a003) / Chem. Rev. by R. S. Berry (1969)
Cade, P. E., Huo, W. M.: J. Chem. Phys. 47, 649 (1967) (10.1063/1.1711939) / J. Chem. Phys. by P. E. Cade (1967)
Scrocco, E., Tomasi, J.: Topics Curr. Chem. 42, 95 (1973) / Topics Curr. Chem. by E. Scrocco (1973)
Bellucci, G., Berti, G., Ingrosso, G., Vatteroni, A., Ambrosetti, R., Conti, G.: to be published

Dates

Type	When
Created	20 years, 9 months ago (Nov. 19, 2004, 12:44 a.m.)
Deposited	1 year, 7 months ago (Jan. 15, 2024, 10:39 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 2:43 a.m.)
Issued	47 years, 8 months ago (Jan. 1, 1978)
Published	47 years, 8 months ago (Jan. 1, 1978)
Published Print	47 years, 8 months ago (Jan. 1, 1978)

Funders 0

None

BibTeX

@article{Alagona_1978, title={On a possible catalytic effect of water on some nucleophilic substitution reactions in ?Inert? solvents}, volume={47}, ISSN={1432-2234}, url={http://dx.doi.org/10.1007/bf00547749}, DOI={10.1007/bf00547749}, number={2}, journal={Theoretica Chimica Acta}, publisher={Springer Science and Business Media LLC}, author={Alagona, Giuliano and Scrocco, Eolo and Tomasi, Jacopo}, year={1978}, pages={133–145} }

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