DOI: 10.1016/s0166-1280(01)00491-2. Computational characterization of surfaces of model graphene systems

Computational characterization of surfaces of model graphene systems

10.1016/s0166-1280(01)00491-2

Crossref journal-article

Elsevier BV

Journal of Molecular Structure: THEOCHEM (78)

Bibliography

Peralta-Inga, Z., Murray, J. S., Edward Grice, M., Boyd, S., OâConnor, C. J., & Politzer, P. (2001). Computational characterization of surfaces of model graphene systems. Journal of Molecular Structure: THEOCHEM, 549(1â2), 147â158.

Authors 6

Z Peralta-Inga (first)
J.S Murray (additional)
M Edward Grice (additional)
S Boyd (additional)
C.J O'Connor (additional)
P Politzer (additional)

References 69 Referenced 35

{'key': '10.1016/S0166-1280(01)00491-2_BIB1', 'series-title': 'On Physical Adsorption', 'author': 'Ross', 'year': '1964'} / On Physical Adsorption by Ross (1964)
10.1080/00018738100101367 / Adv. Phys. by Dresselhaus (1981)
10.1080/00018738400101691 / Adv. Phys. by Clarke (1984)
10.1103/PhysRevLett.61.710 / Phys. Rev. Lett. by Ruiz-Suarez (1988)
10.1063/1.457842 / J. Chem. Phys. by Rowntree (1990)
10.1063/1.458562 / J. Chem. Phys. by Cheng (1990)
{'key': '10.1016/S0166-1280(01)00491-2_BIB7', 'series-title': 'Graphite Intercalation Compounds II: Transport and Electronic Properties', 'author': 'Zabel', 'year': '1992'} / Graphite Intercalation Compounds II: Transport and Electronic Properties by Zabel (1992)
10.1063/1.481411 / J. Chem. Phys. by Arellano (2000)
{'key': '10.1016/S0166-1280(01)00491-2_BIB9', 'series-title': 'Science of Fullerenes and Carbon Nanotubes', 'author': 'Dresselhaus', 'year': '1996'} / Science of Fullerenes and Carbon Nanotubes by Dresselhaus (1996)
10.1021/jp992328o / J. Phys. Chem. B by Dai (1999)
10.1002/(SICI)1521-3773(19990517)38:10<1381::AID-ANIE1381>3.0.CO;2-V / Angew. Chem. Int. Ed. by Edelmann (1999)
{'key': '10.1016/S0166-1280(01)00491-2_BIB12', 'series-title': 'The Science and Technology of Carbon Nanotubes', 'year': '1999'} / The Science and Technology of Carbon Nanotubes (1999)
10.1021/cr970102g / Chem. Rev. by Ajayan (1999)
10.1021/jp993592k / J. Phys. Chem. B by Odom (2000)
10.1038/386377a0 / Nature by Dillon (1997)
10.1126/science.287.5453.622 / Science by Kong (2000)
10.1126/science.287.5459.1801 / Science by Collins (2000)
10.1103/PhysRevB.62.10000 / Phys. Rev. B by Zahab (2000)
10.1016/S0009-2614(00)00956-8 / Chem. Phys. Lett. by Nisha (2000)
10.1021/jp982651b / J. Phys. Chem. B by Tyutyulkov (1998)
10.1021/jp9928659 / J. Phys. Chem. B by Dietz (2000)
{'key': '10.1016/S0166-1280(01)00491-2_BIB22', 'first-page': '95', 'volume': '42', 'author': 'Scrocco', 'year': '1973', 'journal-title': 'Topics Curr. Chem.'} / Topics Curr. Chem. by Scrocco (1973)
{'key': '10.1016/S0166-1280(01)00491-2_BIB23', 'series-title': 'The Force Concept in Chemistry', 'author': 'Politzer', 'year': '1981'} / The Force Concept in Chemistry by Politzer (1981)
{'key': '10.1016/S0166-1280(01)00491-2_BIB24', 'series-title': 'Chemical Applications of Atomic and Molecular Electrostatic Potentials', 'year': '1981'} / Chemical Applications of Atomic and Molecular Electrostatic Potentials (1981)
{'key': '10.1016/S0166-1280(01)00491-2_BIB25', 'volume': 'vol. 2', 'author': 'Politzer', 'year': '1991'} by Politzer (1991)
10.1021/cr00036a002 / Chem. Rev. by Naray-Szabo (1995)
10.1016/0166-1280(94)80117-7 / J. Mol. Struct. (Theochem) by Murray (1994)
{'key': '10.1016/S0166-1280(01)00491-2_BIB28', 'series-title': 'Quantitative Treatments of Solute/Solvent Interactions', 'author': 'Murray', 'year': '1994'} / Quantitative Treatments of Solute/Solvent Interactions by Murray (1994)
10.1016/S0166-1280(97)00162-0 / J. Mol. Struct. (Theochem) by Murray (1998)
{'key': '10.1016/S0166-1280(01)00491-2_BIB30', 'first-page': '157', 'volume': '7', 'author': 'Politzer', 'year': '1999', 'journal-title': 'Trends Chem. Phys.'} / Trends Chem. Phys. by Politzer (1999)
10.1021/ja00260a006 / J. Am. Chem. Soc. by Bader (1987)
10.1139/v95-063 / Can. J. Chem. by Hagelin (1995)
10.1139/v90-220 / Can. J. Chem. by Sjoberg (1990)
{'key': '10.1016/S0166-1280(01)00491-2_BIB34', 'series-title': 'Theoretical Organic Chemistry', 'author': 'Murray', 'year': '1998'} / Theoretical Organic Chemistry by Murray (1998)
10.1002/9780470143551.ch4 / Adv. Chem. Phys. by Nesbet (1965)
10.1016/S0031-8914(34)90011-2 / Physica by Koopmans (1933)
10.1002/(SICI)1097-461X(1998)69:4<607::AID-QUA18>3.0.CO;2-W / Int. J. Quant. Chem. by Politzer (1998)
10.1016/0166-1280(92)85015-D / J. Mol. Struct. (Theochem) by Murray (1992)
10.1016/0166-1280(92)87156-T / J. Mol. Struct. (Theochem) by Murray (1992)
10.1002/qua.560480202 / Int. J. Quant. Chem. by Brinck (1993)
10.1002/qua.560382462 / Int. J. Quant. Chem., Quant. Chem. Symp. by Murray (1990)
10.1016/S0166-1280(99)00435-2 / J. Mol. Struct. (Theochem) by Murray (2000)
{'key': '10.1016/S0166-1280(01)00491-2_BIB43', 'series-title': 'Quantum theory of molecules and solids', 'volume': 'vol. 4', 'author': 'Slater', 'year': '1974'} / Quantum theory of molecules and solids by Slater (1974)
10.1139/p80-159 / Can. J. Phys. by Vosko (1980)
10.1002/qua.560400825 / Int. J. Quant. Chem., Quant. Chem. Symp. by Seminario (1991)
{'key': '10.1016/S0166-1280(01)00491-2_BIB46', 'series-title': 'Density Functional Methods in Chemistry', 'first-page': '411', 'author': 'Redington', 'year': '1991'} / Density Functional Methods in Chemistry by Redington (1991)
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrezewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dappich, J.M. Millam, A.D. Daniels, K. N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. Petersson, P.Y. Aayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rubuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J.A. Pople, gaussian 98, Revision A.5, Gaussian, Inc.: Pittsburgh, PA, 1998.
10.1063/1.555605 / J. Phys. Chem. Ref. Data by Harmony (1979)
10.1103/PhysRev.100.544 / Phys. Rev. by Baskin (1955)
10.1063/1.450025 / J. Chem. Phys. by Becke (1986)
10.1021/cr00005a001 / Chem. Rev. by Ziegler (1991)
{'issue': 'Suppl. 1', 'key': '10.1016/S0166-1280(01)00491-2_BIB52', 'volume': '17', 'author': 'Lias', 'year': '1988', 'journal-title': 'J. Phys. Chem. Ref. Data'} / J. Phys. Chem. Ref. Data by Lias (1988)
10.1063/1.1316015 / J. Chem. Phys. by Delley (2000)
10.1016/0166-1280(92)87156-T / J. Mol. Struct. (Theochem) by Murray (1992)
10.1080/00268979809482203 / Mol. Phys. by Murray (1998)
10.1016/0009-2614(74)85135-3 / Chem. Phys. Lett. by Almlöf (1974)
{'key': '10.1016/S0166-1280(01)00491-2_BIB57', 'volume': 'vols. 1–2', 'author': 'Clar', 'year': '1964'} by Clar (1964)
10.1016/0040-4020(67)85046-4 / Tetrahedron by Clar (1967)
{'key': '10.1016/S0166-1280(01)00491-2_BIB59', 'series-title': 'The Aromatic Sextet', 'author': 'Clar', 'year': '1972'} / The Aromatic Sextet by Clar (1972)
{'key': '10.1016/S0166-1280(01)00491-2_BIB60', 'first-page': '39', 'volume': '39', 'author': 'Schmidt', 'year': '1938', 'journal-title': 'Z. Phys. Chem.'} / Z. Phys. Chem. by Schmidt (1938)
{'key': '10.1016/S0166-1280(01)00491-2_BIB61', 'first-page': '353', 'volume': '31', 'author': 'Daudel', 'year': '1949', 'journal-title': 'Bull. Soc. Chim. Biol.'} / Bull. Soc. Chim. Biol. by Daudel (1949)
{'key': '10.1016/S0166-1280(01)00491-2_BIB62', 'first-page': '595', 'volume': '21', 'author': 'Pullman', 'year': '1954', 'journal-title': 'Bull. Soc. Chim. Fr.'} / Bull. Soc. Chim. Fr. by Pullman (1954)
10.1016/S0065-230X(08)60919-7 / Adv. Cancer Res. by Pullman (1955)
10.1021/j100032a005 / J. Phys. Chem. by Murray (1995)
10.1016/0039-6028(73)90264-1 / Surf. Sci. by Steele (1973)
{'key': '10.1016/S0166-1280(01)00491-2_BIB66', 'series-title': 'Aromaticity', 'first-page': '47', 'author': 'Robinson', 'year': '1967'} / Aromaticity by Robinson (1967)
10.1021/ja00737a064 / J. Am. Chem. Soc. by Hayes (1971)
10.1007/BF00549017 / Theor. Chim. Acta by Takatsuka (1978)
10.1016/S0009-2614(00)01088-5 / Chem. Phys. Lett. by Staroverov (2000)

Dates

Type	When
Created	22 years, 9 months ago (Oct. 31, 2002, 2:09 p.m.)
Deposited	6 years, 4 months ago (April 25, 2019, 3:27 p.m.)
Indexed	1 year ago (Aug. 13, 2024, 5:31 p.m.)
Issued	24 years ago (Aug. 1, 2001)
Published	24 years ago (Aug. 1, 2001)
Published Print	24 years ago (Aug. 1, 2001)

Funders 0

None

BibTeX

@article{Peralta_Inga_2001, title={Computational characterization of surfaces of model graphene systems}, volume={549}, ISSN={0166-1280}, url={http://dx.doi.org/10.1016/s0166-1280(01)00491-2}, DOI={10.1016/s0166-1280(01)00491-2}, number={1–2}, journal={Journal of Molecular Structure: THEOCHEM}, publisher={Elsevier BV}, author={Peralta-Inga, Z and Murray, J.S and Edward Grice, M and Boyd, S and O’Connor, C.J and Politzer, P}, year={2001}, month=aug, pages={147–158} }

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      "series-title": "On Physical Adsorption",
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      "key": "10.1016/S0166-1280(01)00491-2_BIB3",
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      "author": "Clarke",
      "year": "1984",
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    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB4",
      "doi-asserted-by": "crossref",
      "first-page": "710",
      "DOI": "10.1103/PhysRevLett.61.710",
      "volume": "61",
      "author": "Ruiz-Suarez",
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      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB5",
      "doi-asserted-by": "crossref",
      "first-page": "3853",
      "DOI": "10.1063/1.457842",
      "volume": "92",
      "author": "Rowntree",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB6",
      "doi-asserted-by": "crossref",
      "first-page": "3858",
      "DOI": "10.1063/1.458562",
      "volume": "92",
      "author": "Cheng",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB7",
      "series-title": "Graphite Intercalation Compounds II: Transport and Electronic Properties",
      "author": "Zabel",
      "year": "1992"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB8",
      "doi-asserted-by": "crossref",
      "first-page": "8114",
      "DOI": "10.1063/1.481411",
      "volume": "112",
      "author": "Arellano",
      "year": "2000",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB9",
      "series-title": "Science of Fullerenes and Carbon Nanotubes",
      "author": "Dresselhaus",
      "year": "1996"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB10",
      "doi-asserted-by": "crossref",
      "first-page": "11,246",
      "DOI": "10.1021/jp992328o",
      "volume": "103",
      "author": "Dai",
      "year": "1999",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB11",
      "doi-asserted-by": "crossref",
      "first-page": "1381",
      "DOI": "10.1002/(SICI)1521-3773(19990517)38:10<1381::AID-ANIE1381>3.0.CO;2-V",
      "volume": "38",
      "author": "Edelmann",
      "year": "1999",
      "journal-title": "Angew. Chem. Int. Ed."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB12",
      "series-title": "The Science and Technology of Carbon Nanotubes",
      "year": "1999"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB13",
      "doi-asserted-by": "crossref",
      "first-page": "1787",
      "DOI": "10.1021/cr970102g",
      "volume": "99",
      "author": "Ajayan",
      "year": "1999",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB14",
      "doi-asserted-by": "crossref",
      "first-page": "2794",
      "DOI": "10.1021/jp993592k",
      "volume": "104",
      "author": "Odom",
      "year": "2000",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB15",
      "doi-asserted-by": "crossref",
      "first-page": "377",
      "DOI": "10.1038/386377a0",
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      "author": "Dillon",
      "year": "1997",
      "journal-title": "Nature"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB16",
      "doi-asserted-by": "crossref",
      "first-page": "622",
      "DOI": "10.1126/science.287.5453.622",
      "volume": "287",
      "author": "Kong",
      "year": "2000",
      "journal-title": "Science"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB17",
      "doi-asserted-by": "crossref",
      "first-page": "1801",
      "DOI": "10.1126/science.287.5459.1801",
      "volume": "287",
      "author": "Collins",
      "year": "2000",
      "journal-title": "Science"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB18",
      "doi-asserted-by": "crossref",
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      "DOI": "10.1103/PhysRevB.62.10000",
      "volume": "62",
      "author": "Zahab",
      "year": "2000",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB19",
      "doi-asserted-by": "crossref",
      "first-page": "381",
      "DOI": "10.1016/S0009-2614(00)00956-8",
      "volume": "328",
      "author": "Nisha",
      "year": "2000",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB20",
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      "first-page": "10,183",
      "DOI": "10.1021/jp982651b",
      "volume": "102",
      "author": "Tyutyulkov",
      "year": "1998",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB21",
      "doi-asserted-by": "crossref",
      "first-page": "1746",
      "DOI": "10.1021/jp9928659",
      "volume": "104",
      "author": "Dietz",
      "year": "2000",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB22",
      "first-page": "95",
      "volume": "42",
      "author": "Scrocco",
      "year": "1973",
      "journal-title": "Topics Curr. Chem."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB23",
      "series-title": "The Force Concept in Chemistry",
      "author": "Politzer",
      "year": "1981"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB24",
      "series-title": "Chemical Applications of Atomic and Molecular Electrostatic Potentials",
      "year": "1981"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB25",
      "volume": "vol. 2",
      "author": "Politzer",
      "year": "1991"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB26",
      "doi-asserted-by": "crossref",
      "first-page": "829",
      "DOI": "10.1021/cr00036a002",
      "volume": "95",
      "author": "Naray-Szabo",
      "year": "1995",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB27",
      "doi-asserted-by": "crossref",
      "first-page": "55",
      "DOI": "10.1016/0166-1280(94)80117-7",
      "volume": "307",
      "author": "Murray",
      "year": "1994",
      "journal-title": "J. Mol. Struct. (Theochem)"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB28",
      "series-title": "Quantitative Treatments of Solute/Solvent Interactions",
      "author": "Murray",
      "year": "1994"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB29",
      "doi-asserted-by": "crossref",
      "first-page": "107",
      "DOI": "10.1016/S0166-1280(97)00162-0",
      "volume": "425",
      "author": "Murray",
      "year": "1998",
      "journal-title": "J. Mol. Struct. (Theochem)"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB30",
      "first-page": "157",
      "volume": "7",
      "author": "Politzer",
      "year": "1999",
      "journal-title": "Trends Chem. Phys."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB31",
      "doi-asserted-by": "crossref",
      "first-page": "7968",
      "DOI": "10.1021/ja00260a006",
      "volume": "109",
      "author": "Bader",
      "year": "1987",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB32",
      "doi-asserted-by": "crossref",
      "first-page": "483",
      "DOI": "10.1139/v95-063",
      "volume": "73",
      "author": "Hagelin",
      "year": "1995",
      "journal-title": "Can. J. Chem."
    },
    {
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      "first-page": "1440",
      "DOI": "10.1139/v90-220",
      "volume": "68",
      "author": "Sjoberg",
      "year": "1990",
      "journal-title": "Can. J. Chem."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB34",
      "series-title": "Theoretical Organic Chemistry",
      "author": "Murray",
      "year": "1998"
    },
    {
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      "first-page": "321",
      "DOI": "10.1002/9780470143551.ch4",
      "volume": "9",
      "author": "Nesbet",
      "year": "1965",
      "journal-title": "Adv. Chem. Phys."
    },
    {
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      "doi-asserted-by": "crossref",
      "first-page": "104",
      "DOI": "10.1016/S0031-8914(34)90011-2",
      "volume": "1",
      "author": "Koopmans",
      "year": "1933",
      "journal-title": "Physica"
    },
    {
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      "DOI": "10.1002/(SICI)1097-461X(1998)69:4<607::AID-QUA18>3.0.CO;2-W",
      "volume": "69",
      "author": "Politzer",
      "year": "1998",
      "journal-title": "Int. J. Quant. Chem."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB38",
      "doi-asserted-by": "crossref",
      "first-page": "271",
      "DOI": "10.1016/0166-1280(92)85015-D",
      "volume": "255",
      "author": "Murray",
      "year": "1992",
      "journal-title": "J. Mol. Struct. (Theochem)"
    },
    {
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      "doi-asserted-by": "crossref",
      "first-page": "29",
      "DOI": "10.1016/0166-1280(92)87156-T",
      "volume": "256",
      "author": "Murray",
      "year": "1992",
      "journal-title": "J. Mol. Struct. (Theochem)"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB40",
      "doi-asserted-by": "crossref",
      "first-page": "73",
      "DOI": "10.1002/qua.560480202",
      "volume": "48",
      "author": "Brinck",
      "year": "1993",
      "journal-title": "Int. J. Quant. Chem."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB41",
      "doi-asserted-by": "crossref",
      "first-page": "645",
      "DOI": "10.1002/qua.560382462",
      "volume": "24",
      "author": "Murray",
      "year": "1990",
      "journal-title": "Int. J. Quant. Chem., Quant. Chem. Symp."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB42",
      "doi-asserted-by": "crossref",
      "first-page": "241",
      "DOI": "10.1016/S0166-1280(99)00435-2",
      "volume": "501\u2013502",
      "author": "Murray",
      "year": "2000",
      "journal-title": "J. Mol. Struct. (Theochem)"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB43",
      "series-title": "Quantum theory of molecules and solids",
      "volume": "vol. 4",
      "author": "Slater",
      "year": "1974"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB44",
      "doi-asserted-by": "crossref",
      "first-page": "1200",
      "DOI": "10.1139/p80-159",
      "volume": "58",
      "author": "Vosko",
      "year": "1980",
      "journal-title": "Can. J. Phys."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB45",
      "doi-asserted-by": "crossref",
      "first-page": "249",
      "DOI": "10.1002/qua.560400825",
      "volume": "25",
      "author": "Seminario",
      "year": "1991",
      "journal-title": "Int. J. Quant. Chem., Quant. Chem. Symp."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB46",
      "series-title": "Density Functional Methods in Chemistry",
      "first-page": "411",
      "author": "Redington",
      "year": "1991"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB47",
      "unstructured": "M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrezewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dappich, J.M. Millam, A.D. Daniels, K. N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. Petersson, P.Y. Aayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rubuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J.A. Pople, gaussian 98, Revision A.5, Gaussian, Inc.: Pittsburgh, PA, 1998."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB48",
      "doi-asserted-by": "crossref",
      "first-page": "619",
      "DOI": "10.1063/1.555605",
      "volume": "8",
      "author": "Harmony",
      "year": "1979",
      "journal-title": "J. Phys. Chem. Ref. Data"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB49",
      "doi-asserted-by": "crossref",
      "first-page": "544",
      "DOI": "10.1103/PhysRev.100.544",
      "volume": "100",
      "author": "Baskin",
      "year": "1955",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB50",
      "doi-asserted-by": "crossref",
      "first-page": "4524",
      "DOI": "10.1063/1.450025",
      "volume": "84",
      "author": "Becke",
      "year": "1986",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB51",
      "doi-asserted-by": "crossref",
      "first-page": "651",
      "DOI": "10.1021/cr00005a001",
      "volume": "91",
      "author": "Ziegler",
      "year": "1991",
      "journal-title": "Chem. Rev."
    },
    {
      "issue": "Suppl. 1",
      "key": "10.1016/S0166-1280(01)00491-2_BIB52",
      "volume": "17",
      "author": "Lias",
      "year": "1988",
      "journal-title": "J. Phys. Chem. Ref. Data"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB53",
      "doi-asserted-by": "crossref",
      "first-page": "7756",
      "DOI": "10.1063/1.1316015",
      "volume": "113",
      "author": "Delley",
      "year": "2000",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB54",
      "doi-asserted-by": "crossref",
      "first-page": "29",
      "DOI": "10.1016/0166-1280(92)87156-T",
      "volume": "256",
      "author": "Murray",
      "year": "1992",
      "journal-title": "J. Mol. Struct. (Theochem)"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB55",
      "doi-asserted-by": "crossref",
      "first-page": "187",
      "DOI": "10.1080/00268979809482203",
      "volume": "93",
      "author": "Murray",
      "year": "1998",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB56",
      "doi-asserted-by": "crossref",
      "first-page": "418",
      "DOI": "10.1016/0009-2614(74)85135-3",
      "volume": "29",
      "author": "Alml\u00f6f",
      "year": "1974",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB57",
      "volume": "vols. 1\u20132",
      "author": "Clar",
      "year": "1964"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB58",
      "doi-asserted-by": "crossref",
      "first-page": "985",
      "DOI": "10.1016/0040-4020(67)85046-4",
      "volume": "23",
      "author": "Clar",
      "year": "1967",
      "journal-title": "Tetrahedron"
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB59",
      "series-title": "The Aromatic Sextet",
      "author": "Clar",
      "year": "1972"
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      "key": "10.1016/S0166-1280(01)00491-2_BIB60",
      "first-page": "39",
      "volume": "39",
      "author": "Schmidt",
      "year": "1938",
      "journal-title": "Z. Phys. Chem."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB61",
      "first-page": "353",
      "volume": "31",
      "author": "Daudel",
      "year": "1949",
      "journal-title": "Bull. Soc. Chim. Biol."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB62",
      "first-page": "595",
      "volume": "21",
      "author": "Pullman",
      "year": "1954",
      "journal-title": "Bull. Soc. Chim. Fr."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB63",
      "doi-asserted-by": "crossref",
      "first-page": "117",
      "DOI": "10.1016/S0065-230X(08)60919-7",
      "volume": "3",
      "author": "Pullman",
      "year": "1955",
      "journal-title": "Adv. Cancer Res."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB64",
      "doi-asserted-by": "crossref",
      "first-page": "12,081",
      "DOI": "10.1021/j100032a005",
      "volume": "99",
      "author": "Murray",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB65",
      "doi-asserted-by": "crossref",
      "first-page": "317",
      "DOI": "10.1016/0039-6028(73)90264-1",
      "volume": "36",
      "author": "Steele",
      "year": "1973",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB66",
      "series-title": "Aromaticity",
      "first-page": "47",
      "author": "Robinson",
      "year": "1967"
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      "first-page": "2090",
      "DOI": "10.1021/ja00737a064",
      "volume": "93",
      "author": "Hayes",
      "year": "1971",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/S0166-1280(01)00491-2_BIB68",
      "doi-asserted-by": "crossref",
      "first-page": "175",
      "DOI": "10.1007/BF00549017",
      "volume": "48",
      "author": "Takatsuka",
      "year": "1978",
      "journal-title": "Theor. Chim. Acta"
    },
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      "first-page": "161",
      "DOI": "10.1016/S0009-2614(00)01088-5",
      "volume": "330",
      "author": "Staroverov",
      "year": "2000",
      "journal-title": "Chem. Phys. Lett."
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