Crossref journal-article
Elsevier BV
Chemical Physics Letters (78)
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Sancho-Garcı́a, J. C., Brédas, J. L., & Cornil, J. (2003). Assessment of the reliability of the Perdew–Burke–Ernzerhof functionals in the determination of torsional potentials in π-conjugated molecules. Chemical Physics Letters, 377(1–2), 63–68.

Authors 3
  1. J.C Sancho-Garcı́a (first)
  2. J.L Brédas (additional)
  3. J Cornil (additional)
References 35 Referenced 99
  1. 10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew (1996)
  2. 10.1103/PhysRevLett.80.890 / Phys. Rev. Lett. by Zhang (1998)
  3. 10.1103/PhysRevB.59.7413 / Phys. Rev. B by Hammer (1999)
  4. 10.1063/1.1458927 / J. Chem. Phys. by Adamo (2002)
  5. 10.1103/PhysRevB.55.7454 / Phys. Rev. B by Patton (1997)
  6. 10.1021/jp980975u / J. Phys. Chem. A by Kaschner (1998)
  7. 10.1063/1.478401 / J. Chem. Phys. by Ernzerhof (1999)
  8. 10.1016/S0166-1280(99)00235-3 / J. Mol. Struct. (Theochem) by Adamo (1999)
  9. 10.1002/(SICI)1097-461X(1999)75:4/5<863::AID-QUA51>3.0.CO;2-T / Int. J. Quantum Chem. by Matveev (1999)
  10. 10.1016/S0009-2614(00)00657-6 / Chem. Phys. Lett. by Vetere (2000)
  11. 10.1021/jp011239k / J. Phys. Chem. A by Gruning (2001)
  12. 10.1016/S0009-2614(02)00787-X / Chem. Phys. Lett. by Menconi (2002)
  13. 10.1063/1.1502244 / J. Chem. Phys. by Pogantsch (2002)
  14. 10.1016/0379-6779(89)90558-4 / Synth. Met. by Salaneck (1989)
  15. 10.1002/1521-4095(200101)13:1<65::AID-ADMA65>3.0.CO;2-Q / Adv. Mater. by Hertel (2001)
  16. 10.1103/PhysRevB.42.9830 / Phys. Rev. B by Rauscher (1990)
  17. K. Mullen, G. Wegner (Eds.), in: Electronic Materials: The Oligomer Approach, Wiley-VCH, Weinheim, 1998 (10.1002/9783527603220)
  18. 10.1021/ar9800338 / Acc. Chem. Res. by Brédas (1999)
  19. {'key': '10.1016/S0009-2614(03)01086-8_BIB19', 'series-title': 'Gaussian 98 (Revision A.10)', 'author': 'Frisch', 'year': '1998'} / Gaussian 98 (Revision A.10) by Frisch (1998)
  20. {'key': '10.1016/S0009-2614(03)01086-8_BIB20', 'series-title': 'Density Functional Theory: A Bridge between Chemistry and Physics', 'author': 'Martin', 'year': '1999'} / Density Functional Theory: A Bridge between Chemistry and Physics by Martin (1999)
  21. 10.1016/S0009-2614(01)00618-2 / Chem. Phys. Lett. by Sancho-Garcia (2001)
  22. 10.1088/0953-4075/35/6/308 / J. Phys. B: At. Mol. Opt. Phys. by Sancho-Garcia (2002)
  23. 10.1080/00268970109483487 / Mol. Phys. by Sancho-Garcia (2001)
  24. 10.1016/S0009-2614(97)00651-9 / Chem. Phys. Lett. by Adamo (1997)
  25. {'key': '10.1016/S0009-2614(03)01086-8_BIB25', 'series-title': 'A Chemist’s Guide to Density Functional Theory', 'author': 'Koch', 'year': '2000'} / A Chemist’s Guide to Density Functional Theory by Koch (2000)
  26. 10.1063/1.477928 / J. Chem. Phys. by Tsuzuki (1999)
  27. 10.1016/S0009-2614(00)00352-3 / Chem. Phys. Lett. by Goller (2000)
  28. 10.1063/1.1418438 / J. Chem. Phys. by Arulmozhiraja (2001)
  29. 10.1021/jp0122124 / J. Phys. Chem. A by Grein (2002)
  30. 10.1021/jp0120615 / J. Phys. Chem. A by Sancho-Garcı́a (2002)
  31. 10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke (1988)
  32. 10.1063/1.480951 / J. Chem. Phys. by Becke (2000)
  33. 10.1021/jp0212895 / J. Phys. Chem. A by Woodcock (2002)
  34. {'key': '10.1016/S0009-2614(03)01086-8_BIB34', 'first-page': '427', 'volume': '160', 'author': 'Engeln', 'year': '1992', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Engeln (1992)
  35. 10.1016/0022-2860(77)80034-3 / J. Mol. Struct. by Carreira (1977)
Dates
Type When
Created 22 years, 1 month ago (July 31, 2003, 2:28 p.m.)
Deposited 6 years, 5 months ago (March 17, 2019, 12:25 a.m.)
Indexed 2 weeks, 4 days ago (Aug. 20, 2025, 8:34 a.m.)
Issued 22 years, 1 month ago (Aug. 1, 2003)
Published 22 years, 1 month ago (Aug. 1, 2003)
Published Print 22 years, 1 month ago (Aug. 1, 2003)
Funders 0

None

@article{Sancho_Garc_a_2003, title={Assessment of the reliability of the Perdew–Burke–Ernzerhof functionals in the determination of torsional potentials in π-conjugated molecules}, volume={377}, ISSN={0009-2614}, url={http://dx.doi.org/10.1016/s0009-2614(03)01086-8}, DOI={10.1016/s0009-2614(03)01086-8}, number={1–2}, journal={Chemical Physics Letters}, publisher={Elsevier BV}, author={Sancho-Garcı́a, J.C and Brédas, J.L and Cornil, J}, year={2003}, month=aug, pages={63–68} }