DOI: 10.1016/0166-1280(92)85015-d. Applications of calculated local surface ionization energies to chemical reactivity

Applications of calculated local surface ionization energies to chemical reactivity

10.1016/0166-1280(92)85015-d

Crossref journal-article

Elsevier BV

Journal of Molecular Structure: THEOCHEM (78)

Bibliography

Murray, J. S., Brinck, T., & Politzer, P. (1992). Applications of calculated local surface ionization energies to chemical reactivity. Journal of Molecular Structure: THEOCHEM, 255, 271â281.

Authors 3

Jane S. Murray (first)
Tore Brinck (additional)
Peter Politzer (additional)

References 43 Referenced 61

{'key': '10.1016/0166-1280(92)85015-D_BIB1', 'author': 'Politzer', 'year': '1981'} by Politzer (1981)
10.1289/ehp.8561191 / Environ. Hith Perspectives by Politzer (1985)
{'key': '10.1016/0166-1280(92)85015-D_BIB3', 'volume': '7', 'author': 'Politzer', 'year': '1988'} by Politzer (1988)
10.1139/v90-220 / Can. J. Chem. by Sjoberg (1990)
{'key': '10.1016/0166-1280(92)85015-D_BIB5', 'author': 'Seminario', 'year': '1991'} by Seminario (1991)
{'key': '10.1016/0166-1280(92)85015-D_BIB6', 'author': 'Politzer', 'year': '1991'} by Politzer (1991)
10.1002/qua.560382462 / Int. J. Quantum Chem., Quantum Chem. Symp. by Murray (1990)
10.1021/jo00008a068 / J. Org. Chem. by Brinck (1991)
P. Lane, J.S. Murray and P. Politzer, J. Mol. Struct. (Theochem), in press.
10.1021/jo00017a006 / J. Org. Chem. by Brinck (1991)
10.1002/qua.560400713 / Int. J. Quantum Chem., Quantum Biol. Symp. by Murray (1991)
10.1016/S0031-8914(34)90011-2 / Physica by Koopmans (1933)
10.1063/1.1841222 / , J. Chem. Phys. by Bader (1967)
10.1063/1.461539 / J. Chem. Phys. by Politzer (1991)
J.S. Binkley, M.J. Frisch, D.J. DeFrees, R. Krishnan, R.A. Whiteside, H.B. Schlegel, E.M. Flueder and J.A. Pople gaussian 82, Carnegie-Mellon Quantum Chemistry Publishing Unit, Pittsburgh, PA, 15213.
{'key': '10.1016/0166-1280(92)85015-D_BIB17', 'author': 'Frisch', 'year': '1988'} by Frisch (1988)
{'key': '10.1016/0166-1280(92)85015-D_BIB18', 'author': 'Hammett', 'year': '1940'} by Hammett (1940)
{'key': '10.1016/0166-1280(92)85015-D_BIB19', 'author': 'Exner', 'year': '1988'} by Exner (1988)
10.1021/cr00002a004 / Chem. Rev. by Hansch (1991)
{'key': '10.1016/0166-1280(92)85015-D_BIB21', 'article-title': 'Electrophilic Substitution of Heterocycles: Quantitative Aspects', 'volume': '47', 'author': 'Katritzky', 'year': '1990'} / Electrophilic Substitution of Heterocycles: Quantitative Aspects by Katritzky (1990)
{'key': '10.1016/0166-1280(92)85015-D_BIB22', 'author': 'Hehre', 'year': '1986'} by Hehre (1986)
10.1021/ja00194a007 / J. Am. Chem. Soc. by Jorgensen (1990)
10.1016/S0065-3276(08)60236-1 / Adv. Quantum Chem. by Scrocco (1978)
P. Politzer and J.S. Murray, Trans. Am. Crystallogr. Assoc., 26, in press.
10.1016/0166-1280(89)87080-0 / J. Mol. Struct. (Theochem) by Nagy (1989)
J.S. Murray, T. Brinck, M.E. Grice and P. Politzer, J. Mol. Struct. (Theochem), in press.
{'key': '10.1016/0166-1280(92)85015-D_BIB28', 'first-page': '287', 'volume': '16', 'author': 'Charton', 'year': '1987'} by Charton (1987)
10.1016/0009-2614(88)80107-6 / Chem. Phys. Lett. by Murray (1988)
10.1021/ja01595a022 / J. Am. Chem. Soc. by Hine (1956)
10.1021/ja00960a020 / J. Am. Chem. Soc. by Brower (1966)
10.1021/ja01051a006 / J. Am. Chem. Soc. by Politzer (1969)
10.1021/jo00795a046 / J. Org. Chem. by Politzer (1972)
10.1016/0009-2614(82)83430-1 / Chem. Phys. Lett., by Politzer (1982)
10.1021/j150653a018 / J. Phys. Chem. by Politzer (1984)
10.1021/ja00238a008 / J. Am. Chem. Soc. by Politzer (1987)
10.1021/j100339a019 / J. Phys. Chem. by Politzer (1989)
10.1007/BF00676627 / Struct. Chem. by Murray (1991)
10.1021/j100157a018 / J. Phys. Chem. by Murray (1991)
10.1021/ma00183a004 / Macromolecules by Schluter (1988)
10.1021/ja00223a070 / J. Am. Chem. Soc. by Kaszynski (1988)
10.1002/cber.19891220233 / Chem. Ber. by Beizner (1989)
{'key': '10.1016/0166-1280(92)85015-D_BIB43', 'first-page': '214', 'author': 'Wiberg', 'year': '1990'} by Wiberg (1990)
10.1016/0166-1280(86)80062-8 / J. Mol. Struct. (Theochem) by Politzer (1986)

Dates

Type	When
Created	23 years, 1 month ago (July 25, 2002, 4:45 a.m.)
Deposited	6 years, 3 months ago (May 4, 2019, 9:22 p.m.)
Indexed	1 year ago (Aug. 1, 2024, 6:53 p.m.)
Issued	33 years, 5 months ago (March 1, 1992)
Published	33 years, 5 months ago (March 1, 1992)
Published Print	33 years, 5 months ago (March 1, 1992)

Funders 0

None

BibTeX

@article{Murray_1992, title={Applications of calculated local surface ionization energies to chemical reactivity}, volume={255}, ISSN={0166-1280}, url={http://dx.doi.org/10.1016/0166-1280(92)85015-d}, DOI={10.1016/0166-1280(92)85015-d}, journal={Journal of Molecular Structure: THEOCHEM}, publisher={Elsevier BV}, author={Murray, Jane S. and Brinck, Tore and Politzer, Peter}, year={1992}, month=mar, pages={271–281} }

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