Crossref journal-article
American Chemical Society (ACS)
The Journal of Physical Chemistry A (316)
Bibliography

Li, J., Zhu, T., Cramer, C. J., & Truhlar, D. G. (1998). New Class IV Charge Model for Extracting Accurate Partial Charges from Wave Functions. The Journal of Physical Chemistry A, 102(10), 1820–1831.

Authors 4
  1. Jiabo Li (first)
  2. Tianhai Zhu (additional)
  3. Christopher J. Cramer (additional)
  4. Donald G. Truhlar (additional)
References 57 Referenced 222
  1. 10.1002/9780470125823.ch3 / Reviews in Computational Chemistry by Bachrach S. (1993)
  2. 10.1007/978-1-4757-9634-6_12 / Chemical Applications of Atomic and Molecular Electrostatic Potentials by Tomasi (1981)
  3. 10.1146/annurev.pc.43.100192.002203 / Annu. Rev. Phys. Chem. by Straatsma T. P. (1992)
  4. 10.1073/pnas.81.15.4785 / Proc. Natl. Acad. Sci. U.S.A. by Warshel A. (1989)
  5. 10.1002/recl.19560750502 / Recl. Trav. Chim. Pays-Bas by Hoijtink G. J. (1956)
  6. {'key': 'jp972682rb00004/jp972682rb00004_2', 'first-page': '393', 'volume': '17', 'author': 'Peradejordi F.', 'year': '1963', 'journal-title': 'Cah. Phys.'} / Cah. Phys. by Peradejordi F. (1963)
  7. 10.1016/0009-2614(89)87227-6 / Chem. Phys. Lett. by Tucker S. C. (1989)
  8. 10.1021/ja00172a038 / J. Am. Chem. Soc. by Still W. C. (1990)
  9. {'key': 'jp972682rb00005/jp972682rb00005_1', 'first-page': '9901', 'volume': '113', 'author': 'Cramer C. J.', 'year': '1991', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. by Cramer C. J. (1991)
  10. 10.1126/science.256.5054.213 / Science by Cramer C. J. (1992)
  11. 10.1021/ja00108a023 / J. Am. Chem. Soc. by Giesen D. J. (1995)
  12. 10.1021/jp9610776 / J. Phys. Chem. by Chambers C. C. (1996)
  13. 10.1021/jp961710n / J. Phys. Chem. by Hawkins G. D. (1996)
  14. 10.1021/jo9617427 / J. Org. Chem. by Giesen D. J. (1996)
  15. 10.1063/1.1740588 / J. Chem. Phys. by Mulliken R. S. (1955)
  16. 10.1063/1.1747632 / J. Chem. Phys. by Löwdin P.-O. (1950)
  17. 10.1007/978-1-4757-1659-7_5 / Quantum Science by Del Re (1976)
  18. 10.1002/jcc.540080616 / J. Comput. Chem. by Chirlian L. E. (1987)
  19. 10.1002/jcc.540110311 / J. Comput. Chem. by Breneman C. M. (1989)
  20. 10.1107/S0567739475000101 / Acta Crystallogr. by Hall D. (1975)
  21. 10.1007/BF00117280 / J. Comput.-Aided Mol. Design by Storer J. W. (1995)
  22. 10.1021/ja00299a024 / J. Am. Chem. Soc. by Dewar M. J. S. (1985)
  23. 10.1016/0166-1280(88)80074-5 / J. Mol. Struct. (THEOCHEM) by Dewar M. J. S. (1988)
  24. 10.1002/jcc.540100209 / J. Comput. Chem. by Stewart J. J. P. (1989)
  25. {'key': 'jp972682rb00014/jp972682rb00014_1', 'volume-title': 'v. R', 'author': 'Hehre W. J.', 'year': '1986'} / v. R by Hehre W. J. (1986)
  26. {'key': 'jp972682rb00015/jp972682rb00015_1', 'volume-title': 'Density Functional Theory of Atoms and Molecules', 'author': 'Parr R. G.', 'year': '1989'} / Density Functional Theory of Atoms and Molecules by Parr R. G. (1989)
  27. 10.1021/cr00005a001 / Chem. Rev. (Washington, D.C.) by Ziegler T. (1991)
  28. 10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
  29. 10.1103/PhysRevB.54.16533 / Phys. Rev. B by Perdew J. P. (1996)
  30. {'key': 'jp972682rb00017/jp972682rb00017_1', 'volume-title': 'Revision D.4, Gaussian', 'author': 'Frisch M. J.', 'year': '1995'} / Revision D.4, Gaussian by Frisch M. J. (1995)
  31. 10.1007/BF01127507 / Theor. Chim. Acta by Cl (1996)
  32. 10.1063/1.456153 / J. Chem. Phys. by Dunning T. H., Jr. (1989)
  33. 10.1063/1.464303 / J. Chem. Phys. by Woon E. E. (1993)
  34. 10.1016/0009-2614(83)80005-0 / Chem. Phys. Lett. by Mayer I. (1983)
  35. 10.1039/dt9730000838 / J. Chem. Soc., Dalton Trans. by Armstrong D. R. (1973)
  36. (a) Stark, B.; InMolecular Constants from Microwave Spectroscopy, Landolt-Börnstein, New Series, Group II; Hellwege, K. H., Hellwege, A. M., Eds.; Springer-Verlag:  Berlin, 1967; Vol. 4, p 136.
  37. (b) Demaison, J.; Hütner, W.; Stark, B.; Buck, I.; Tischer, R.; Winnewisser, M. InMolecularConstants, Landolt-Börnstein, New Series, Group II; Hellwege, K. H., Hellwege, A. M., Eds.; Springer-Verlag:  Berlin, 1974; Vol. 6, p 261.
  38. {'key': 'jp972682rb00022/jp972682rb00022_3', 'series-title': 'New Series', 'volume-title': 'Molecular Constants, Landolt-Börnstein', 'volume': '584', 'author': 'Demaison J.', 'year': '1982'} / Molecular Constants, Landolt-Börnstein / New Series by Demaison J. (1982)
  39. {'key': 'jp972682rb00022/jp972682rb00022_4', 'volume-title': 'Data Ser. United States National Bureau of Standards', 'author': 'Nelson R. D.', 'year': '1967'} / Data Ser. United States National Bureau of Standards by Nelson R. D. (1967)
  40. 10.1515/zna-1976-0919 / Z. Naturforsch by Hocking W. H. (1976)
  41. 10.1016/0022-2852(81)90117-X / J. Mol. Spectrosc. by Caminati W. (1981)
  42. 10.1016/0022-2852(81)90146-6 / J. Mol. Spectrosc. by Caminati W. (1981)
  43. 10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. (1988)
  44. 10.1063/1.464913 / J. Chem. Phys. by Becke A. D. (1993)
  45. 10.1021/j100096a001 / J. Phys. Chem. by Stephens P. J. (1994)
  46. 10.1139/v92-079 / Can. J. Chem. by Godbout N. (1992)
  47. 10.1063/1.462165 / J. Chem. Phys. by Andzelm J. (1992)
  48. {'key': 'jp972682rb00027/jp972682rb00027_1', 'volume-title': 'Oxford Molecular Group', 'author': 'Hawkins G. D.', 'year': '1997'} / Oxford Molecular Group by Hawkins G. D. (1997)
  49. 10.2514/3.13069 / AIAA J. by Carroll D. L. (1996)
  50. 10.1016/0371-1951(64)80072-2 / J. Spectrochim. Acta by Cole A. R. H. (1964)
  51. 10.1063/1.438955 / J. Chem. Phys. by Krishnan R. (1980)
  52. 10.1002/jcc.540040303 / J. Comput. Chem. by Clark T. (1983)
  53. 10.1016/0009-2614(92)85807-M / J. Chem. Phys. Lett. by Gill P. M. W. (1992)
  54. 10.1002/jcc.540070216 / J. Compt. Chem. by Weiner S. J. (1986)
  55. 10.1021/ja00214a001 / J. Am. Chem. Soc. by Jorgensen W. L. (1988)
  56. 10.1021/ja00152a025 / J. Am. Chem. Soc. by Jorgensen W. L. (1995)
  57. 10.1021/jp9624257 / J. Phys. Chem. by Kaminski G. (1996)
Dates
Type When
Created 23 years, 1 month ago (July 26, 2002, 1:26 a.m.)
Deposited 1 year, 7 months ago (Jan. 2, 2024, 7:55 p.m.)
Indexed 1 month, 2 weeks ago (July 13, 2025, 10:45 p.m.)
Issued 27 years, 6 months ago (Feb. 12, 1998)
Published 27 years, 6 months ago (Feb. 12, 1998)
Published Online 27 years, 6 months ago (Feb. 12, 1998)
Published Print 27 years, 5 months ago (March 1, 1998)
Funders 0

None

@article{Li_1998, title={New Class IV Charge Model for Extracting Accurate Partial Charges from Wave Functions}, volume={102}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp972682r}, DOI={10.1021/jp972682r}, number={10}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Li, Jiabo and Zhu, Tianhai and Cramer, Christopher J. and Truhlar, Donald G.}, year={1998}, month=feb, pages={1820–1831} }