DOI: 10.1021/ja105975a. Face-to-Face Arene−Arene Binding Energies: Dominated by Dispersion but Predicted by Electrostatic and Dispersion/Polarizability Substituent Constants

Face-to-Face Arene−Arene Binding Energies: Dominated by Dispersion but Predicted by Electrostatic and Dispersion/Polarizability Substituent Constants

10.1021/ja105975a

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Watt, M., Hardebeck, L. K. E., Kirkpatrick, C. C., & Lewis, M. (2011). Face-to-Face AreneâArene Binding Energies: Dominated by Dispersion but Predicted by Electrostatic and Dispersion/Polarizability Substituent Constants. Journal of the American Chemical Society, 133(11), 3854â3862.

Authors 4

Michelle Watt (first)
Laura K. E. Hardebeck (additional)
Charles C. Kirkpatrick (additional)
Michael Lewis (additional)

References 69 Referenced 144

10.1039/B614208G / Chem. Soc. Rev. by Schottel B. L. (2008)
10.1039/b800055g / Chem. Commun. by Hay B. P. (2008)
10.1021/ar7000099 / Acc. Chem. Res. by Gamez P. (2007)
10.1002/anie.200390319 / Angew. Chem., Int. Ed. by Meyer E. A. (2003)
10.1021/ar000093p / Acc. Chem. Res. by Gokel G. W. (2002)
10.1021/cr9603744 / Chem. Rev. by Ma J. C. (1997)
10.1126/science.271.5246.163 / Science by Dougherty D. A. (1996)
10.1016/S0969-2126(99)80040-9 / Structure by Kryger G. (1999)
10.1021/ja043492e / J. Am. Chem. Soc. by Guvench O. (2005)
10.1021/jm058184l / J. Med. Chem. by Neelamkavil S. (2005)
10.1126/science.3892686 / Science by Burley S. K. (1985)
10.1021/jp910788e / J. Phys. Chem. B by Svozil D. (2010)
10.1039/b719370j / Phys. Chem. Chem. Phys. by Sponer J. (2008)
10.1021/ct800308k / J. Chem. Theory Comput. by Hohenstein E. G. (2008)
10.3390/molecules14051725 / Molecules by Neto B. A. D. (2009)
10.1021/bi060158h / Biochemistry by Yakovleva L. (2006)
10.1021/ol801140g / Org. Lett. by Sarotti A. M. (2008)
10.1055/s-1995-3957 / Synthesis by Jones G. B. (1995)
10.1021/jo800546j / J. Org. Chem. by Chang Y.-C. (2008)
10.1021/jp077404z / J. Phys. Chem. B by Amrutha S. R. (2008)
10.1039/b719725j / Phys. Chem. Chem. Phys. by Podeszwa R. (2008)
10.1021/ar0301633 / Acc. Chem. Res. by Glaser R. (2007)
10.1021/ja057939a / J. Am. Chem. Soc. by Sokolov A. N. (2006)
10.1002/anie.200352713 / Angew. Chem., Int. Ed. by Gao X. (2004)
10.1039/b822665m / Chem. Soc. Rev. by Mati I. K. (2010)
10.1039/b800031j / Phys. Chem. Chem. Phys. by Cozzi F. (2008)
10.1039/B603842P / Chem. Soc. Rev. by Cockroft S. L. (2007)
10.1021/jo0479361 / J. Org. Chem. by Mei X. (2005)
10.1021/jo051808a / J. Org. Chem. by Gung B. W. (2005)
10.1021/ja016508z / J. Am. Chem. Soc. by Rashkin M. J. (2002)
10.1021/ar0100475 / Acc. Chem. Res. by Jennings W. B. (2001)
10.1021/jo9907641 / J. Org. Chem. by Martin C. B. (1999)
10.1021/ja982620u / J. Am. Chem. Soc. by Kim E. (1998)
10.1021/jp9034375 / J. Phys. Chem. A by Sherrill C. D. (2009)
10.1021/jp0610416 / J. Phys. Chem. A by Sinnokrot M. O. (2006)
10.1002/chem.200501316 / Chem.-Eur. J. by Ringer A. L. (2006)
10.1021/jp0553479 / J. Phys. Chem. A by Tauer T. P. (2005)
10.1021/ja049434a / J. Am. Chem. Soc. by Sinnokrot M. O. (2004)
10.1021/jp030880e / J. Phys. Chem. A by Sinnokrot M. O. (2003)
10.1021/ja025896h / J. Am. Chem. Soc. by Sinnokrot M. O. (2002)
10.1063/1.2354495 / J. Chem. Phys. by Tsuzuki S. (2006)
10.1021/jp054461o / J. Phys. Chem. A by Tsuzuki S. (2006)
10.1063/1.1876092 / J. Chem. Phys. by Tsuzuki S. (2005)
10.1021/ja0105212 / J. Am. Chem. Soc. by Tsuzuki S. (2002)
10.1021/ja00170a016 / J. Am. Chem. Soc. by Hunter C. A. (1990)
10.1021/ja802849j / J. Am. Chem. Soc. by Wheeler S. E. (2008)
10.1016/j.cplett.2008.02.043 / Chem. Phys. Lett. by Beg S. (2008)
10.1021/ja037454r / J. Am. Chem. Soc. by Lee E. C. (2005)
10.1021/ja809720r / J. Am. Chem. Soc. by Ringer A. L. (2009)
10.1021/ja903653j / J. Am. Chem. Soc. by Wheeler S. E. (2010)
10.1021/ja016508z / J. Am. Chem. Soc. by Rashkin M. J. (2002)
10.1021/jp065175v / J. Phys. Chem. A by Clements A. (2006)
10.1021/ja0630285 / J. Am. Chem. Soc. by Moran D. (2006)
10.1039/b810877c / Phys. Chem. Chem. Phys. by Jiménez-Hoyos C. A. (2008)
10.1080/00268977000101561 / Mol. Phys. by Boys S. F. (1970)
10.1021/ct0502763 / J. Chem. Theory Comput. by Zhao Y. (2006)
10.1007/s00214-009-0588-y / Theor. Chem. Acc. by Ebrahimi A. (2009)
10.1007/s00214-009-0542-z / Theor. Chem. Acc. by Noguera M. (2009)
10.1021/cr00031a008 / Chem. Rev. by Jeziorski B. (1994)
10.1063/1.464296 / J. Chem. Phys. by Williams H. L. (1993)
Frisch, M. J.; et al.Gaussian 03, revision E.01;Gaussian, Inc.:Wallingford, CT, 2004.
Bukowski, R.; et al.SAPT2008.2: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies;University of Delaware and University of Warsaw.
Saunders, V. R.; Guest, M. F.ATMOL Program Package;SERC Daresbury Laboratory:Daresbury, UK.
10.1021/cr00002a004 / Chem. Rev. by Hansch C. (1991)
10.1016/j.poly.2009.06.074 / Polyhedron by Cormier K. (2009)
10.1023/A:1007985107256 / J. Inclusion Phenom. Mol. Recognit. Chem. by Guo Q.-X. (1998)
{'key': 'ref31/cit31', 'volume-title': 'Substituent Constants for Correlation Analysis in Chemistry and Biology', 'author': 'Hansch C.', 'year': '1979'} / Substituent Constants for Correlation Analysis in Chemistry and Biology by Hansch C. (1979)
10.1063/1.2206182 / J. Chem. Phys. by Soderhjelm P. (2006)
10.1039/b902351h / Chem. Commun. by Cockroft S. L. (2009)

Dates

Type	When
Created	14 years, 5 months ago (March 2, 2011, 2:27 a.m.)
Deposited	2 years, 4 months ago (April 3, 2023, 1:10 p.m.)
Indexed	2 months, 2 weeks ago (June 11, 2025, 4:07 a.m.)
Issued	14 years, 5 months ago (March 1, 2011)
Published	14 years, 5 months ago (March 1, 2011)
Published Online	14 years, 5 months ago (March 1, 2011)
Published Print	14 years, 5 months ago (March 23, 2011)

Funders 0

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BibTeX

@article{Watt_2011, title={Face-to-Face Arene−Arene Binding Energies: Dominated by Dispersion but Predicted by Electrostatic and Dispersion/Polarizability Substituent Constants}, volume={133}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja105975a}, DOI={10.1021/ja105975a}, number={11}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Watt, Michelle and Hardebeck, Laura K. E. and Kirkpatrick, Charles C. and Lewis, Michael}, year={2011}, month=mar, pages={3854–3862} }

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      "DOI": "10.1039/b800055g",
      "author": "Hay B. P.",
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    {
      "key": "ref1/cit1c",
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      "DOI": "10.1021/ar7000099",
      "volume": "40",
      "author": "Gamez P.",
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    },
    {
      "key": "ref1/cit1d",
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      "first-page": "1210",
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    },
    {
      "key": "ref1/cit1e",
      "doi-asserted-by": "crossref",
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      "DOI": "10.1021/ar000093p",
      "volume": "35",
      "author": "Gokel G. W.",
      "year": "2002",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "ref1/cit1f",
      "doi-asserted-by": "crossref",
      "first-page": "1303",
      "DOI": "10.1021/cr9603744",
      "volume": "97",
      "author": "Ma J. C.",
      "year": "1997",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ref1/cit1g",
      "doi-asserted-by": "crossref",
      "first-page": "163",
      "DOI": "10.1126/science.271.5246.163",
      "volume": "271",
      "author": "Dougherty D. A.",
      "year": "1996",
      "journal-title": "Science"
    },
    {
      "key": "ref2/cit2",
      "doi-asserted-by": "crossref",
      "first-page": "297",
      "DOI": "10.1016/S0969-2126(99)80040-9",
      "volume": "7",
      "author": "Kryger G.",
      "year": "1999",
      "journal-title": "Structure"
    },
    {
      "key": "ref3/cit3a",
      "doi-asserted-by": "crossref",
      "first-page": "4668",
      "DOI": "10.1021/ja043492e",
      "volume": "127",
      "author": "Guvench O.",
      "year": "2005",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref3/cit3b",
      "doi-asserted-by": "crossref",
      "first-page": "4025",
      "DOI": "10.1021/jm058184l",
      "volume": "48",
      "author": "Neelamkavil S.",
      "year": "2005",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "ref3/cit3c",
      "doi-asserted-by": "crossref",
      "first-page": "23",
      "DOI": "10.1126/science.3892686",
      "volume": "229",
      "author": "Burley S. K.",
      "year": "1985",
      "journal-title": "Science"
    },
    {
      "key": "ref4/cit4a",
      "doi-asserted-by": "crossref",
      "first-page": "1191",
      "DOI": "10.1021/jp910788e",
      "volume": "114",
      "author": "Svozil D.",
      "year": "2010",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ref4/cit4b",
      "doi-asserted-by": "crossref",
      "first-page": "2595",
      "DOI": "10.1039/b719370j",
      "volume": "10",
      "author": "Sponer J.",
      "year": "2008",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref4/cit4c",
      "doi-asserted-by": "crossref",
      "first-page": "1996",
      "DOI": "10.1021/ct800308k",
      "volume": "4",
      "author": "Hohenstein E. G.",
      "year": "2008",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref5/cit5a",
      "doi-asserted-by": "crossref",
      "first-page": "1725",
      "DOI": "10.3390/molecules14051725",
      "volume": "14",
      "author": "Neto B. A. D.",
      "year": "2009",
      "journal-title": "Molecules"
    },
    {
      "key": "ref5/cit5b",
      "doi-asserted-by": "crossref",
      "first-page": "7644",
      "DOI": "10.1021/bi060158h",
      "volume": "45",
      "author": "Yakovleva L.",
      "year": "2006",
      "journal-title": "Biochemistry"
    },
    {
      "key": "ref6/cit6a",
      "doi-asserted-by": "crossref",
      "first-page": "3389",
      "DOI": "10.1021/ol801140g",
      "volume": "10",
      "author": "Sarotti A. M.",
      "year": "2008",
      "journal-title": "Org. Lett."
    },
    {
      "key": "ref6/cit6b",
      "doi-asserted-by": "crossref",
      "first-page": "475",
      "DOI": "10.1055/s-1995-3957",
      "author": "Jones G. B.",
      "year": "1995",
      "journal-title": "Synthesis"
    },
    {
      "key": "ref7/cit7a",
      "doi-asserted-by": "crossref",
      "first-page": "4608",
      "DOI": "10.1021/jo800546j",
      "volume": "73",
      "author": "Chang Y.-C.",
      "year": "2008",
      "journal-title": "J. Org. Chem."
    },
    {
      "key": "ref7/cit7b",
      "doi-asserted-by": "crossref",
      "first-page": "1119",
      "DOI": "10.1021/jp077404z",
      "volume": "112",
      "author": "Amrutha S. R.",
      "year": "2008",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "ref7/cit7c",
      "doi-asserted-by": "crossref",
      "first-page": "2735",
      "DOI": "10.1039/b719725j",
      "volume": "10",
      "author": "Podeszwa R.",
      "year": "2008",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref7/cit7d",
      "doi-asserted-by": "crossref",
      "first-page": "9",
      "DOI": "10.1021/ar0301633",
      "volume": "40",
      "author": "Glaser R.",
      "year": "2007",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "ref7/cit7e",
      "doi-asserted-by": "crossref",
      "first-page": "2806",
      "DOI": "10.1021/ja057939a",
      "volume": "128",
      "author": "Sokolov A. N.",
      "year": "2006",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref7/cit7f",
      "doi-asserted-by": "crossref",
      "first-page": "232",
      "DOI": "10.1002/anie.200352713",
      "volume": "43",
      "author": "Gao X.",
      "year": "2004",
      "journal-title": "Angew. Chem., Int. Ed."
    },
    {
      "key": "ref8/cit8a",
      "doi-asserted-by": "crossref",
      "first-page": "4195",
      "DOI": "10.1039/b822665m",
      "volume": "39",
      "author": "Mati I. K.",
      "year": "2010",
      "journal-title": "Chem. Soc. Rev."
    },
    {
      "key": "ref8/cit8b",
      "doi-asserted-by": "crossref",
      "first-page": "2686",
      "DOI": "10.1039/b800031j",
      "volume": "10",
      "author": "Cozzi F.",
      "year": "2008",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref8/cit8c",
      "doi-asserted-by": "crossref",
      "first-page": "172",
      "DOI": "10.1039/B603842P",
      "volume": "36",
      "author": "Cockroft S. L.",
      "year": "2007",
      "journal-title": "Chem. Soc. Rev."
    },
    {
      "key": "ref8/cit8d",
      "doi-asserted-by": "crossref",
      "first-page": "2299",
      "DOI": "10.1021/jo0479361",
      "volume": "70",
      "author": "Mei X.",
      "year": "2005",
      "journal-title": "J. Org. Chem."
    },
    {
      "key": "ref8/cit8e",
      "doi-asserted-by": "crossref",
      "first-page": "10532",
      "DOI": "10.1021/jo051808a",
      "volume": "70",
      "author": "Gung B. W.",
      "year": "2005",
      "journal-title": "J. Org. Chem."
    },
    {
      "key": "ref8/cit8f",
      "doi-asserted-by": "crossref",
      "first-page": "1860",
      "DOI": "10.1021/ja016508z",
      "volume": "124",
      "author": "Rashkin M. J.",
      "year": "2002",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref8/cit8g",
      "doi-asserted-by": "crossref",
      "first-page": "885",
      "DOI": "10.1021/ar0100475",
      "volume": "34",
      "author": "Jennings W. B.",
      "year": "2001",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "ref8/cit8h",
      "doi-asserted-by": "crossref",
      "first-page": "7802",
      "DOI": "10.1021/jo9907641",
      "volume": "64",
      "author": "Martin C. B.",
      "year": "1999",
      "journal-title": "J. Org. Chem."
    },
    {
      "key": "ref8/cit8i",
      "doi-asserted-by": "crossref",
      "first-page": "11192",
      "DOI": "10.1021/ja982620u",
      "volume": "120",
      "author": "Kim E.",
      "year": "1998",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref9/cit9a",
      "doi-asserted-by": "crossref",
      "first-page": "10146",
      "DOI": "10.1021/jp9034375",
      "volume": "113",
      "author": "Sherrill C. D.",
      "year": "2009",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref9/cit9b",
      "doi-asserted-by": "crossref",
      "first-page": "10656",
      "DOI": "10.1021/jp0610416",
      "volume": "110",
      "author": "Sinnokrot M. O.",
      "year": "2006",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref9/cit9c",
      "doi-asserted-by": "crossref",
      "first-page": "3821",
      "DOI": "10.1002/chem.200501316",
      "volume": "12",
      "author": "Ringer A. L.",
      "year": "2006",
      "journal-title": "Chem.-Eur. J."
    },
    {
      "key": "ref9/cit9d",
      "doi-asserted-by": "crossref",
      "first-page": "10475",
      "DOI": "10.1021/jp0553479",
      "volume": "109",
      "author": "Tauer T. P.",
      "year": "2005",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref9/cit9e",
      "doi-asserted-by": "crossref",
      "first-page": "7690",
      "DOI": "10.1021/ja049434a",
      "volume": "126",
      "author": "Sinnokrot M. O.",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref9/cit9f",
      "doi-asserted-by": "crossref",
      "first-page": "8377",
      "DOI": "10.1021/jp030880e",
      "volume": "107",
      "author": "Sinnokrot M. O.",
      "year": "2003",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref9/cit9g",
      "doi-asserted-by": "crossref",
      "first-page": "10887",
      "DOI": "10.1021/ja025896h",
      "volume": "124",
      "author": "Sinnokrot M. O.",
      "year": "2002",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "124304\u22121-124304",
      "DOI": "10.1063/1.2354495",
      "volume": "125",
      "author": "Tsuzuki S.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref11/cit11a",
      "doi-asserted-by": "crossref",
      "first-page": "2027",
      "DOI": "10.1021/jp054461o",
      "volume": "110",
      "author": "Tsuzuki S.",
      "year": "2006",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref11/cit11b",
      "doi-asserted-by": "crossref",
      "first-page": "144323\u22121-144323",
      "DOI": "10.1063/1.1876092",
      "volume": "122",
      "author": "Tsuzuki S.",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref11/cit11c",
      "doi-asserted-by": "crossref",
      "first-page": "104",
      "DOI": "10.1021/ja0105212",
      "volume": "124",
      "author": "Tsuzuki S.",
      "year": "2002",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "crossref",
      "first-page": "5525",
      "DOI": "10.1021/ja00170a016",
      "volume": "112",
      "author": "Hunter C. A.",
      "year": "1990",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "crossref",
      "first-page": "10854",
      "DOI": "10.1021/ja802849j",
      "volume": "130",
      "author": "Wheeler S. E.",
      "year": "2008",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref14/cit14a",
      "doi-asserted-by": "crossref",
      "first-page": "98",
      "DOI": "10.1016/j.cplett.2008.02.043",
      "volume": "455",
      "author": "Beg S.",
      "year": "2008",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref14/cit14b",
      "doi-asserted-by": "crossref",
      "first-page": "4530",
      "DOI": "10.1021/ja037454r",
      "volume": "127",
      "author": "Lee E. C.",
      "year": "2005",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref15/cit15",
      "doi-asserted-by": "crossref",
      "first-page": "4574",
      "DOI": "10.1021/ja809720r",
      "volume": "131",
      "author": "Ringer A. L.",
      "year": "2009",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "crossref",
      "first-page": "3304",
      "DOI": "10.1021/ja903653j",
      "volume": "132",
      "author": "Wheeler S. E.",
      "year": "2010",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
      "first-page": "1860",
      "DOI": "10.1021/ja016508z",
      "volume": "124",
      "author": "Rashkin M. J.",
      "year": "2002",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref18/cit18",
      "doi-asserted-by": "crossref",
      "first-page": "12705",
      "DOI": "10.1021/jp065175v",
      "volume": "110",
      "author": "Clements A.",
      "year": "2006",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref19/cit19",
      "doi-asserted-by": "crossref",
      "first-page": "9342",
      "DOI": "10.1021/ja0630285",
      "volume": "128",
      "author": "Moran D.",
      "year": "2006",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "6621",
      "DOI": "10.1039/b810877c",
      "volume": "10",
      "author": "Jim\u00e9nez-Hoyos C. A.",
      "year": "2008",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "553",
      "DOI": "10.1080/00268977000101561",
      "volume": "19",
      "author": "Boys S. F.",
      "year": "1970",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "crossref",
      "first-page": "364",
      "DOI": "10.1021/ct0502763",
      "volume": "2",
      "author": "Zhao Y.",
      "year": "2006",
      "journal-title": "J. Chem. Theory Comput."
    },
    {
      "key": "ref23/cit23a",
      "doi-asserted-by": "crossref",
      "first-page": "115",
      "DOI": "10.1007/s00214-009-0588-y",
      "volume": "124",
      "author": "Ebrahimi A.",
      "year": "2009",
      "journal-title": "Theor. Chem. Acc."
    },
    {
      "key": "ref23/cit23b",
      "doi-asserted-by": "crossref",
      "first-page": "105",
      "DOI": "10.1007/s00214-009-0542-z",
      "volume": "123",
      "author": "Noguera M.",
      "year": "2009",
      "journal-title": "Theor. Chem. Acc."
    },
    {
      "key": "ref24/cit24a",
      "doi-asserted-by": "crossref",
      "first-page": "1887",
      "DOI": "10.1021/cr00031a008",
      "volume": "94",
      "author": "Jeziorski B.",
      "year": "1994",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ref24/cit24b",
      "doi-asserted-by": "crossref",
      "first-page": "1279",
      "DOI": "10.1063/1.464296",
      "volume": "98",
      "author": "Williams H. L.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref25/cit25",
      "unstructured": "Frisch, M. J.; et al.Gaussian 03, revision E.01;Gaussian, Inc.:Wallingford, CT, 2004."
    },
    {
      "key": "ref26/cit26",
      "unstructured": "Bukowski, R.; et al.SAPT2008.2: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies;University of Delaware and University of Warsaw."
    },
    {
      "key": "ref27/cit27",
      "unstructured": "Saunders, V. R.; Guest, M. F.ATMOL Program Package;SERC Daresbury Laboratory:Daresbury, UK."
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "165",
      "DOI": "10.1021/cr00002a004",
      "volume": "91",
      "author": "Hansch C.",
      "year": "1991",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ref29/cit29",
      "doi-asserted-by": "crossref",
      "first-page": "3120",
      "DOI": "10.1016/j.poly.2009.06.074",
      "volume": "28",
      "author": "Cormier K.",
      "year": "2009",
      "journal-title": "Polyhedron"
    },
    {
      "key": "ref30/cit30",
      "doi-asserted-by": "crossref",
      "first-page": "173",
      "DOI": "10.1023/A:1007985107256",
      "volume": "30",
      "author": "Guo Q.-X.",
      "year": "1998",
      "journal-title": "J. Inclusion Phenom. Mol. Recognit. Chem."
    },
    {
      "key": "ref31/cit31",
      "volume-title": "Substituent Constants for Correlation Analysis in Chemistry and Biology",
      "author": "Hansch C.",
      "year": "1979"
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "244101",
      "DOI": "10.1063/1.2206182",
      "volume": "124",
      "author": "Soderhjelm P.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "3961",
      "DOI": "10.1039/b902351h",
      "author": "Cockroft S. L.",
      "year": "2009",
      "journal-title": "Chem. Commun."
    }
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