DOI: 10.1021/ct300956e. Explicitly Correlated Methods within the ccCA Methodology

Explicitly Correlated Methods within the ccCA Methodology

10.1021/ct300956e

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

Mahler, A., & Wilson, A. K. (2013). Explicitly Correlated Methods within the ccCA Methodology. Journal of Chemical Theory and Computation, 9(3), 1402â1407.

Authors 2

Andrew Mahler (first)
Angela K. Wilson (additional)

References 68 Referenced 27

10.1063/1.459921 / J. Chem. Phys. by Kutzelnigg W. (1991)
10.1021/cr200168z / Chem. Rev. by Hättig C. (2012)
10.1007/BF00527669 / Theor. Chem. Acc. by Kutzelnigg W. (1985)
10.1016/0009-2614(87)80005-2 / Chem. Phys. Lett. by Klopper W. (1987)
10.1063/1.1461814 / J. Chem. Phys. by Klopper W. (2002)
10.1103/PhysRev.32.349 / Phys. Rev. by Slater J. C. (1928)
10.1007/BF01375457 / Z. Phys. by Hylleraas E. A. (1929)
10.1063/1.1749252 / J. Chem. Phys. by James H. M. (1933)
10.1016/j.cplett.2004.07.061 / Chem. Phys. Lett. by Valeev E. F. (2004)
10.1007/s00214-008-0441-8 / Theor. Chem. Acc. by Bischoff F. A. (2008)
10.1016/j.chemphys.2008.11.013 / Chem. Phys. by Klopper W. (2009)
10.1007/s00214-010-0733-7 / Theor. Chem. Acc. by Klopper W. (2009)
10.1063/1.3159672 / J. Chem. Phys. by Lane J. R. (2009)
10.1063/1.3070236 / J. Chem. Phys. by Rauhut G. (2009)
10.1021/jp111644h / J. Phys. Chem. A by Feller D. (2011)
10.1063/1.2831537 / J. Chem. Phys. by Peterson K. A. (2008)
10.1039/c0cp00020e / Phys. Chem. Chem. Phys. by Hill J. G. (2010)
10.1063/1.3308483 / J. Chem. Phys. by Hill J. G. (2010)
10.1146/annurev.pc.44.100193.001241 / Annu. Rev. Phys. Chem. by Saebø S. (1993)
10.1002/jcc.540110605 / J. Comput. Chem. by Field M. J. (1990)
10.1002/jcc.540160911 / J. Comput. Chem. by Maseras F. (1995)
10.1021/jp962071j / J. Phys. Chem. by Svensson M. (1996)
10.1021/jp030267v / J. Phys. Chem. A by Feller D. (2003)
10.1021/jp021569k / J. Phys. Chem. A by Feller D. (2003)
10.1063/1.1532314 / J. Chem. Phys. by Feller D. (2003)
10.1063/1.479454 / J. Chem. Phys. by Martin J. M. (1999)
10.1063/1.1638736 / J. Chem. Phys. by Boese A. D. (2004)
10.1063/1.2348881 / J. Chem. Phys. by Karton A. (2006)
10.1063/1.470985 / J. Chem. Phys. by Ochterski J. W. (1996)
10.1063/1.477924 / J. Chem. Phys. by Montgomery J. A. (1999)
{'key': 'ref31/cit31', 'first-page': '2183', 'volume': '11', 'author': 'Petersson G. A.', 'year': '2000', 'journal-title': '104'} / 104 by Petersson G. A. (2000)
10.1063/1.456415 / J. Chem. Phys. by Pople J. A. (1989)
10.1063/1.460205 / J. Chem. Phys. by Curtiss L. A. (1991)
10.1063/1.477422 / J. Chem. Phys. by Curtiss L. A. (1998)
10.1063/1.2436888 / J. Chem. Phys. by Curtiss L. A. (2007)
10.1016/0009-2614(85)85234-9 / Chem. Phys. Lett. by Brown F. B. (1985)
10.1021/ja00278a007 / J. Am. Chem. Soc. by Gordon M. S. (1986)
10.1021/jp9903460 / J. Phys. Chem. A by Fast P. L. (1999)
10.1021/jp000408i / J. Phys. Chem. A by Fast P. L. (2000)
10.1021/jp0221993 / J. Phys. Chem. A by Lynch B. J. (2003)
10.1063/1.1811608 / J. Chem. Phys. by Tajti A. (2004)
10.1063/1.2835612 / J. Chem. Phys. by Harding M. E. (2008)
10.1063/1.2173988 / J. Chem. Phys. by DeYonker N. J. (2006)
10.1080/00268970902744359 / Mol. Phys. by DeYonker N. J. (2009)
10.1063/1.456153 / J. Chem. Phys. by Dunning T. H. (1989)
10.1021/jp0736241 / J. Phys. Chem. A by DeYonker N. J. (2007)
10.1021/jp0715023 / J. Phys. Chem. A by DeYonker N. J. (2007)
10.1063/1.3160667 / J. Chem. Phys. by DeYonker N. J. (2009)
10.1021/jp205710e / J. Phys. Chem. A by Jiang W. (2012)
10.1063/1.3662415 / J. Chem. Phys. by Laury M. L. (2011)
10.1063/1.3176507 / J. Chem. Phys. by Prascher B. P. (2009)
10.1016/S0009-2614(89)87395-6 / Chem. Phys. Lett. by Raghavachari K. (1989)
10.1146/annurev.pc.42.100191.002013 / Annu. Rev. Phys. Chem. by Friesner R. A. (1991)
10.1063/1.473863 / J. Chem. Phys. by Helgaker T. (1997)
Mahler, A.; Wilson, A. K.In2010 Southwest Theoretical Chemistry Conference, Denton, TX, 2010.
Mahler, A.; Wilson, A. K.In44th Annual DFW ACS Meeting-in-Miniature, Stephenville, TX, 2011.
10.1063/1.2794036 / J. Chem. Phys. by Yamaki D. (2007)
10.1063/1.3265857 / J. Chem. Phys. by Hill J. G. (2009)
10.1063/1.2889388 / J. Chem. Phys. by Knizia G. (2008)
10.1063/1.2817618 / J. Chem. Phys. by Adler T. B. (2007)
10.1063/1.3054300 / J. Chem. Phys. by Knizia G. (2009)
10.1063/1.3491809 / J. Chem. Phys. by Feller D. (2010)
10.1063/1.3009271 / J. Chem. Phys. by Yousaf K. E. (2008)
10.1039/b204199p / Phys. Chem. Chem. Phys. by Weigend F. (2002)
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Rob, M. A.; Cheeseman, J. R.; Jr., J., A. M.; T. Vreven, K. N. K.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A.Gaussian 03;Gaussian, Inc.:Wallingford, CT, 2003.
Werner, H.J.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Schütz, M.; Celani, P.; Korona, T.; Mitrushenkov, A.; Rauhut, G.; Adler, T. B.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Goll, E.; Hampel, C.; Hetzer, G.; Hrenar, T.; Knizia, G.; Köppl, C.; Liu, Y.; Lloyd, A. W.; Mata, R. A.; May, A. J.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pflüger, K.; Pitzer, R.; Reiher, M.; Schumann, U.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; Wang, M.; Wolf, A.;MOLPRO, version 2009.1, A package of ab initio programs. Available online:http://www.molpro.net.
10.1021/ja805843n / J. Am. Chem. Soc. by Wheeler S. E. (2009)
10.1002/jcc.23038 / J. Comput. Chem. by Wilson B. R. (2012)

Dates

Type	When
Created	12 years, 7 months ago (Jan. 18, 2013, 12:35 p.m.)
Deposited	2 years, 4 months ago (April 14, 2023, 5:15 p.m.)
Indexed	1 month ago (July 30, 2025, 11:32 a.m.)
Issued	12 years, 6 months ago (Feb. 6, 2013)
Published	12 years, 6 months ago (Feb. 6, 2013)
Published Online	12 years, 6 months ago (Feb. 6, 2013)
Published Print	12 years, 5 months ago (March 12, 2013)

Funders 0

None

BibTeX

@article{Mahler_2013, title={Explicitly Correlated Methods within the ccCA Methodology}, volume={9}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct300956e}, DOI={10.1021/ct300956e}, number={3}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Mahler, Andrew and Wilson, Angela K.}, year={2013}, month=feb, pages={1402–1407} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        30
      ]
    ],
    "date-time": "2025-07-30T15:32:18Z",
    "timestamp": 1753889538249
  },
  "reference-count": 68,
  "publisher": "American Chemical Society (ACS)",
  "issue": "3",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2013,
        3,
        12
      ]
    ]
  },
  "DOI": "10.1021/ct300956e",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2013,
        1,
        18
      ]
    ],
    "date-time": "2013-01-18T17:35:38Z",
    "timestamp": 1358530538000
  },
  "page": "1402-1407",
  "source": "Crossref",
  "is-referenced-by-count": 27,
  "title": "Explicitly Correlated Methods within the ccCA Methodology",
  "prefix": "10.1021",
  "volume": "9",
  "author": [
    {
      "given": "Andrew",
      "family": "Mahler",
      "sequence": "first",
      "affiliation": [
        {
          "name": "University of North Texas, Department\rof Chemistry and Center for Advanced Scientific Computing\rand Modeling (CASCaM), Denton, Texas 76203-5017, United States"
        }
      ]
    },
    {
      "given": "Angela K.",
      "family": "Wilson",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "University of North Texas, Department\rof Chemistry and Center for Advanced Scientific Computing\rand Modeling (CASCaM), Denton, Texas 76203-5017, United States"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2013,
        2,
        6
      ]
    ]
  },
  "reference": [
    {
      "key": "ref1/cit1",
      "doi-asserted-by": "crossref",
      "first-page": "1985",
      "DOI": "10.1063/1.459921",
      "volume": "94",
      "author": "Kutzelnigg W.",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref2/cit2",
      "doi-asserted-by": "crossref",
      "first-page": "4",
      "DOI": "10.1021/cr200168z",
      "volume": "112",
      "author": "H\u00e4ttig C.",
      "year": "2012",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ref3/cit3",
      "doi-asserted-by": "crossref",
      "first-page": "445",
      "DOI": "10.1007/BF00527669",
      "volume": "68",
      "author": "Kutzelnigg W.",
      "year": "1985",
      "journal-title": "Theor. Chem. Acc."
    },
    {
      "key": "ref4/cit4",
      "doi-asserted-by": "crossref",
      "first-page": "17",
      "DOI": "10.1016/0009-2614(87)80005-2",
      "volume": "134",
      "author": "Klopper W.",
      "year": "1987",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref5/cit5",
      "doi-asserted-by": "crossref",
      "first-page": "6397",
      "DOI": "10.1063/1.1461814",
      "volume": "116",
      "author": "Klopper W.",
      "year": "2002",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref6/cit6",
      "doi-asserted-by": "crossref",
      "first-page": "349",
      "DOI": "10.1103/PhysRev.32.349",
      "volume": "32",
      "author": "Slater J. C.",
      "year": "1928",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "ref7/cit7",
      "doi-asserted-by": "crossref",
      "first-page": "347",
      "DOI": "10.1007/BF01375457",
      "volume": "54",
      "author": "Hylleraas E. A.",
      "year": "1929",
      "journal-title": "Z. Phys."
    },
    {
      "key": "ref8/cit8",
      "doi-asserted-by": "crossref",
      "first-page": "825",
      "DOI": "10.1063/1.1749252",
      "volume": "1",
      "author": "James H. M.",
      "year": "1933",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "crossref",
      "first-page": "190",
      "DOI": "10.1016/j.cplett.2004.07.061",
      "volume": "395",
      "author": "Valeev E. F.",
      "year": "2004",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "11",
      "DOI": "10.1007/s00214-008-0441-8",
      "volume": "121",
      "author": "Bischoff F. A.",
      "year": "2008",
      "journal-title": "Theor. Chem. Acc."
    },
    {
      "key": "ref11/cit11",
      "doi-asserted-by": "crossref",
      "first-page": "14",
      "DOI": "10.1016/j.chemphys.2008.11.013",
      "volume": "356",
      "author": "Klopper W.",
      "year": "2009",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "crossref",
      "first-page": "289",
      "DOI": "10.1007/s00214-010-0733-7",
      "volume": "126",
      "author": "Klopper W.",
      "year": "2009",
      "journal-title": "Theor. Chem. Acc."
    },
    {
      "key": "ref13/cit13",
      "doi-asserted-by": "crossref",
      "first-page": "034307",
      "DOI": "10.1063/1.3159672",
      "volume": "131",
      "author": "Lane J. R.",
      "year": "2009",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref14/cit14",
      "doi-asserted-by": "crossref",
      "first-page": "054105",
      "DOI": "10.1063/1.3070236",
      "volume": "130",
      "author": "Rauhut G.",
      "year": "2009",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref15/cit15",
      "doi-asserted-by": "crossref",
      "first-page": "1440",
      "DOI": "10.1021/jp111644h",
      "volume": "115",
      "author": "Feller D.",
      "year": "2011",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "crossref",
      "first-page": "084102",
      "DOI": "10.1063/1.2831537",
      "volume": "128",
      "author": "Peterson K. A.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
      "first-page": "10460",
      "DOI": "10.1039/c0cp00020e",
      "volume": "12",
      "author": "Hill J. G.",
      "year": "2010",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref18/cit18",
      "doi-asserted-by": "crossref",
      "first-page": "054108",
      "DOI": "10.1063/1.3308483",
      "volume": "132",
      "author": "Hill J. G.",
      "year": "2010",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref19/cit19",
      "doi-asserted-by": "crossref",
      "first-page": "213",
      "DOI": "10.1146/annurev.pc.44.100193.001241",
      "volume": "44",
      "author": "Saeb\u00f8 S.",
      "year": "1993",
      "journal-title": "Annu. Rev. Phys. Chem."
    },
    {
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "700",
      "DOI": "10.1002/jcc.540110605",
      "volume": "11",
      "author": "Field M. J.",
      "year": "1990",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "1170",
      "DOI": "10.1002/jcc.540160911",
      "volume": "16",
      "author": "Maseras F.",
      "year": "1995",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "crossref",
      "first-page": "19357",
      "DOI": "10.1021/jp962071j",
      "volume": "100",
      "author": "Svensson M.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "ref23/cit23",
      "doi-asserted-by": "crossref",
      "first-page": "9641",
      "DOI": "10.1021/jp030267v",
      "volume": "107",
      "author": "Feller D.",
      "year": "2003",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "crossref",
      "first-page": "1604",
      "DOI": "10.1021/jp021569k",
      "volume": "107",
      "author": "Feller D.",
      "year": "2003",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref25/cit25",
      "doi-asserted-by": "crossref",
      "first-page": "3510",
      "DOI": "10.1063/1.1532314",
      "volume": "118",
      "author": "Feller D.",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref26/cit26",
      "doi-asserted-by": "crossref",
      "first-page": "1843",
      "DOI": "10.1063/1.479454",
      "volume": "111",
      "author": "Martin J. M.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "crossref",
      "first-page": "4129",
      "DOI": "10.1063/1.1638736",
      "volume": "120",
      "author": "Boese A. D.",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "144108",
      "DOI": "10.1063/1.2348881",
      "volume": "125",
      "author": "Karton A.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref29/cit29",
      "doi-asserted-by": "crossref",
      "first-page": "2598",
      "DOI": "10.1063/1.470985",
      "volume": "104",
      "author": "Ochterski J. W.",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref30/cit30",
      "doi-asserted-by": "crossref",
      "first-page": "2822",
      "DOI": "10.1063/1.477924",
      "volume": "110",
      "author": "Montgomery J. A.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref31/cit31",
      "first-page": "2183",
      "volume": "11",
      "author": "Petersson G. A.",
      "year": "2000",
      "journal-title": "104"
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "5622",
      "DOI": "10.1063/1.456415",
      "volume": "90",
      "author": "Pople J. A.",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "7221",
      "DOI": "10.1063/1.460205",
      "volume": "94",
      "author": "Curtiss L. A.",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "crossref",
      "first-page": "7764",
      "DOI": "10.1063/1.477422",
      "volume": "109",
      "author": "Curtiss L. A.",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref35/cit35",
      "doi-asserted-by": "crossref",
      "first-page": "084108",
      "DOI": "10.1063/1.2436888",
      "volume": "126",
      "author": "Curtiss L. A.",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref36/cit36",
      "doi-asserted-by": "crossref",
      "first-page": "307",
      "DOI": "10.1016/0009-2614(85)85234-9",
      "volume": "117",
      "author": "Brown F. B.",
      "year": "1985",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref37/cit37",
      "doi-asserted-by": "crossref",
      "first-page": "5412",
      "DOI": "10.1021/ja00278a007",
      "volume": "108",
      "author": "Gordon M. S.",
      "year": "1986",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref38/cit38",
      "doi-asserted-by": "crossref",
      "first-page": "5129",
      "DOI": "10.1021/jp9903460",
      "volume": "103",
      "author": "Fast P. L.",
      "year": "1999",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref39/cit39",
      "doi-asserted-by": "crossref",
      "first-page": "6111",
      "DOI": "10.1021/jp000408i",
      "volume": "104",
      "author": "Fast P. L.",
      "year": "2000",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref40/cit40",
      "doi-asserted-by": "crossref",
      "first-page": "3898",
      "DOI": "10.1021/jp0221993",
      "volume": "107",
      "author": "Lynch B. J.",
      "year": "2003",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref41/cit41",
      "doi-asserted-by": "crossref",
      "first-page": "11599",
      "DOI": "10.1063/1.1811608",
      "volume": "121",
      "author": "Tajti A.",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref42/cit42",
      "doi-asserted-by": "crossref",
      "first-page": "114111",
      "DOI": "10.1063/1.2835612",
      "volume": "128",
      "author": "Harding M. E.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref43/cit43",
      "doi-asserted-by": "crossref",
      "first-page": "114104",
      "DOI": "10.1063/1.2173988",
      "volume": "124",
      "author": "DeYonker N. J.",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref44/cit44",
      "doi-asserted-by": "crossref",
      "first-page": "1107",
      "DOI": "10.1080/00268970902744359",
      "volume": "107",
      "author": "DeYonker N. J.",
      "year": "2009",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "ref45/cit45",
      "doi-asserted-by": "crossref",
      "first-page": "1007",
      "DOI": "10.1063/1.456153",
      "volume": "90",
      "author": "Dunning T. H.",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref46/cit46",
      "doi-asserted-by": "crossref",
      "first-page": "10776",
      "DOI": "10.1021/jp0736241",
      "volume": "111",
      "author": "DeYonker N. J.",
      "year": "2007",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref47/cit47",
      "doi-asserted-by": "crossref",
      "first-page": "11269",
      "DOI": "10.1021/jp0715023",
      "volume": "111",
      "author": "DeYonker N. J.",
      "year": "2007",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref48/cit48",
      "doi-asserted-by": "crossref",
      "first-page": "024106",
      "DOI": "10.1063/1.3160667",
      "volume": "131",
      "author": "DeYonker N. J.",
      "year": "2009",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref49/cit49",
      "doi-asserted-by": "crossref",
      "first-page": "870",
      "DOI": "10.1021/jp205710e",
      "volume": "116",
      "author": "Jiang W.",
      "year": "2012",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "ref50/cit50",
      "doi-asserted-by": "crossref",
      "first-page": "214103",
      "DOI": "10.1063/1.3662415",
      "volume": "135",
      "author": "Laury M. L.",
      "year": "2011",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref51/cit51",
      "doi-asserted-by": "crossref",
      "first-page": "044130",
      "DOI": "10.1063/1.3176507",
      "volume": "131",
      "author": "Prascher B. P.",
      "year": "2009",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref52/cit52",
      "doi-asserted-by": "crossref",
      "first-page": "479",
      "DOI": "10.1016/S0009-2614(89)87395-6",
      "volume": "157",
      "author": "Raghavachari K.",
      "year": "1989",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "ref53/cit53",
      "doi-asserted-by": "crossref",
      "first-page": "341",
      "DOI": "10.1146/annurev.pc.42.100191.002013",
      "volume": "42",
      "author": "Friesner R. A.",
      "year": "1991",
      "journal-title": "Annu. Rev. Phys. Chem."
    },
    {
      "key": "ref54/cit54",
      "doi-asserted-by": "crossref",
      "first-page": "9639",
      "DOI": "10.1063/1.473863",
      "volume": "106",
      "author": "Helgaker T.",
      "year": "1997",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref55/cit55",
      "unstructured": "Mahler, A.; Wilson, A. K.In2010 Southwest Theoretical Chemistry Conference, Denton, TX, 2010."
    },
    {
      "key": "ref56/cit56",
      "unstructured": "Mahler, A.; Wilson, A. K.In44th Annual DFW ACS Meeting-in-Miniature, Stephenville, TX, 2011."
    },
    {
      "key": "ref57/cit57",
      "doi-asserted-by": "crossref",
      "first-page": "144104",
      "DOI": "10.1063/1.2794036",
      "volume": "127",
      "author": "Yamaki D.",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref58/cit58",
      "doi-asserted-by": "crossref",
      "first-page": "194105",
      "DOI": "10.1063/1.3265857",
      "volume": "131",
      "author": "Hill J. G.",
      "year": "2009",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref59/cit59",
      "doi-asserted-by": "crossref",
      "first-page": "154103",
      "DOI": "10.1063/1.2889388",
      "volume": "128",
      "author": "Knizia G.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref60/cit60",
      "doi-asserted-by": "crossref",
      "first-page": "221106",
      "DOI": "10.1063/1.2817618",
      "volume": "127",
      "author": "Adler T. B.",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref61/cit61",
      "doi-asserted-by": "crossref",
      "first-page": "054104",
      "DOI": "10.1063/1.3054300",
      "volume": "130",
      "author": "Knizia G.",
      "year": "2009",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref62/cit62",
      "doi-asserted-by": "crossref",
      "first-page": "184102",
      "DOI": "10.1063/1.3491809",
      "volume": "133",
      "author": "Feller D.",
      "year": "2010",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref63/cit63",
      "doi-asserted-by": "crossref",
      "first-page": "184018",
      "DOI": "10.1063/1.3009271",
      "volume": "129",
      "author": "Yousaf K. E.",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "ref64/cit64",
      "doi-asserted-by": "crossref",
      "first-page": "4285",
      "DOI": "10.1039/b204199p",
      "volume": "4",
      "author": "Weigend F.",
      "year": "2002",
      "journal-title": "Phys. Chem. Chem. Phys."
    },
    {
      "key": "ref65/cit65",
      "unstructured": "Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Rob, M. A.; Cheeseman, J. R.; Jr., J., A. M.; T. Vreven, K. N. K.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A.Gaussian 03;Gaussian, Inc.:Wallingford, CT, 2003."
    },
    {
      "key": "ref66/cit66",
      "unstructured": "Werner, H.J.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Sch\u00fctz, M.; Celani, P.; Korona, T.; Mitrushenkov, A.; Rauhut, G.; Adler, T. B.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Goll, E.; Hampel, C.; Hetzer, G.; Hrenar, T.; Knizia, G.; K\u00f6ppl, C.; Liu, Y.; Lloyd, A. W.; Mata, R. A.; May, A. J.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pfl\u00fcger, K.; Pitzer, R.; Reiher, M.; Schumann, U.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; Wang, M.; Wolf, A.;MOLPRO, version 2009.1, A package of ab initio programs. Available online:http://www.molpro.net."
    },
    {
      "key": "ref67/cit67",
      "doi-asserted-by": "crossref",
      "first-page": "2547",
      "DOI": "10.1021/ja805843n",
      "volume": "131",
      "author": "Wheeler S. E.",
      "year": "2009",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ref68/cit68",
      "doi-asserted-by": "crossref",
      "first-page": "2032",
      "DOI": "10.1002/jcc.23038",
      "volume": "33",
      "author": "Wilson B. R.",
      "year": "2012",
      "journal-title": "J. Comput. Chem."
    }
  ],
  "container-title": "Journal of Chemical Theory and Computation",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/ct300956e",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        4,
        14
      ]
    ],
    "date-time": "2023-04-14T21:15:09Z",
    "timestamp": 1681506909000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/ct300956e"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2013,
        2,
        6
      ]
    ]
  },
  "references-count": 68,
  "journal-issue": {
    "issue": "3",
    "published-print": {
      "date-parts": [
        [
          2013,
          3,
          12
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/ct300956e"
  ],
  "URL": "http://dx.doi.org/10.1021/ct300956e",
  "relation": {},
  "ISSN": [
    "1549-9618",
    "1549-9626"
  ],
  "subject": [],
  "container-title-short": "J. Chem. Theory Comput.",
  "published": {
    "date-parts": [
      [
        2013,
        2,
        6
      ]
    ]
  }
}