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

Patchkovskii, S., & Ziegler, T. (2001). Calculation of the EPR g-Tensors of High-Spin Radicals with Density Functional Theory. The Journal of Physical Chemistry A, 105(22), 5490–5497.

Authors 2
  1. S. Patchkovskii (first)
  2. T. Ziegler (additional)
References 79 Referenced 70
  1. 10.1007/978-94-009-4075-8 / Electron Spin Resonance by Wertz J. E. (1986)
  2. {'key': 'jp010457ab00002/jp010457ab00002_1', 'volume-title': 'Electron Paramagnetic Resonance of Transition Ions', 'author': 'Abragam A.', 'year': '1970'} / Electron Paramagnetic Resonance of Transition Ions by Abragam A. (1970)
  3. 10.1021/ja01018a003 / J. Am. Chem. Soc. by Pople J. A. (1968)
  4. {'key': 'jp010457ab00004/jp010457ab00004_1', 'volume-title': 'Magnetic Atoms and Molecules Dover', 'author': 'Weltner W., Jr.', 'year': '1983'} / Magnetic Atoms and Molecules Dover by Weltner W., Jr. (1983)
  5. {'key': 'jp010457ab00005/jp010457ab00005_1', 'volume-title': 'Theoretical Foundations of Electron Spin Resonance', 'author': 'Harriman J. E.', 'year': '1978'} / Theoretical Foundations of Electron Spin Resonance by Harriman J. E. (1978)
  6. 10.1002/qua.560550503 / Int. J. Quantum Chem. by Lushington G. H. (1995)
  7. 10.1002/(SICI)1097-461X(1996)60:7<1679::AID-QUA50>3.0.CO;2-T / Int. J. Quantum Chem. by Lushington G. H. (1996)
  8. 10.1021/jp963060t / J. Phys. Chem. A by Schreckenbach G. (1997)
  9. 10.1016/S0009-2614(97)01169-X / Chem. Phys. Lett. by Vahtras O. (1997)
  10. 10.1063/1.474590 / J. Chem. Phys. by van Lenthe E. (1997)
  11. 10.1063/1.476193 / J. Chem. Phys. by Jayatilaka D. (1998)
  12. 10.1021/ja000984s / J. Am. Chem. Soc. by Malkina O. L. (2000)
  13. 10.1021/jp9937656 / J. Phys. Chem. A by Lushington G. H. (2000)
  14. {'key': 'jp010457ab00014/jp010457ab00014_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)
  15. 10.1021/cr00005a001 / Chem. Rev. by Ziegler T. (1991)
  16. {'key': 'jp010457ab00016/jp010457ab00016_1', 'volume-title': 'Relativistic and Electron Correlation Effects in Molecules and Solids', 'author': 'Salahub D. R.', 'year': '1994'} / Relativistic and Electron Correlation Effects in Molecules and Solids by Salahub D. R. (1994)
  17. 10.1007/s002140050306 / Theor. Chem. Acc. by Schreckenbach G. (1998)
  18. 10.1063/1.479869 / J. Chem. Phys. by Patchkovskii S. (1999)
  19. 10.1021/ja994041a / J. Am. Chem. Soc. by Patchkovskii S. (2000)
  20. 10.1021/jp992959i / J. Phys. Chem. A. by van Lenthe E. (2000)
  21. 10.1021/ic0005691 / Inorg. Chem. by Patchkovskii S. (2000)
  22. 10.1021/ic980948i / Inorg. Chem. by Neese F. (1998)
  23. 10.1021/ja9902219 / J. Am. Chem. Soc. by Campbell K. A. (1999)
  24. 10.1021/ja000142t / J. Am. Chem. Soc. by Campbell K. A. (2000)
  25. 10.1021/jp993133j / J. Phys. Chem. B by Käss H. (2000)
  26. 10.1021/ja000317z / J. Am. Chem. Soc. by Krebs C. (2000)
  27. 10.1063/1.449658 / J. Chem. Phys. by Case D. A. (1985)
  28. {'key': 'jp010457ab00028/jp010457ab00028_1', 'first-page': '424', 'volume': '271', 'author': 'Stone A.', 'year': '1963', 'journal-title': 'J. Proc. R. Soc. (London) A'} / J. Proc. R. Soc. (London) A by Stone A. (1963)
  29. {'key': 'jp010457ab00029/jp010457ab00029_1', 'volume-title': 'Methods of Molecular Quantum Mechanics', 'author': 'McWeeny R.', 'year': '1992', 'edition': '2'} / Methods of Molecular Quantum Mechanics by McWeeny R. (1992)
  30. {'key': 'jp010457ab00030/jp010457ab00030_1', 'volume-title': 'The Physics Handbook', 'author': 'Poole C. P., Jr.', 'year': '1998'} / The Physics Handbook by Poole C. P., Jr. (1998)
  31. {'key': 'jp010457ab00031/jp010457ab00031_1', 'volume-title': 'The Theory of Magnetic Resonance', 'author': 'Poole C. P.', 'year': '1972'} / The Theory of Magnetic Resonance by Poole C. P. (1972)
  32. 10.1021/j100002a024 / J. Phys. Chem. by Schreckenbach G. (1995)
  33. 10.1016/S0009-2614(98)00998-1 / Chem. Phys. Lett. by Malkina O. L. (1998)
  34. Schreckenbach, G.Relativity and Magnetic Properties. A DensityFunctional Study,Ph.D. Thesis, University of Calgary:  Calgary, 1996.
  35. 10.1063/1.481916 / III J. Chem. Phys. by Barden J. B. (2000)
  36. 10.1021/jp9703768 / J. Phys. Chem. A by Baerends E. J. (1997)
  37. {'key': 'jp010457ab00037/jp010457ab00037_1', 'volume-title': 'http://tc.chem.vu.nl/SCM'} / http://tc.chem.vu.nl/SCM
  38. 10.1016/0301-0104(73)80059-X / Chem. Phys. by Baerends E. J. (1973)
  39. Fonseca Guerra, C.; Visser, O.; Snijders, J. G.; te Velde, G.; Baerends, E. J.Methods and Techniques in Computational Chemistry METECC-95; Clementi, E., Corongiu, G., Eds.; STEF:  Cagliari, 1995; pp 305−395.
  40. {'key': 'jp010457ab00040/jp010457ab00040_1', 'first-page': '84', 'volume': '9', 'author': 'Velde G.', 'year': '1992', 'journal-title': 'J. Comput. Chem.'} / J. Comput. Chem. by Velde G. (1992)
  41. 10.1063/1.454603 / J. Chem. Phys. by Versluis L. (1988)
  42. 10.1021/j100345a036 / J. Phys. Chem. by Ziegler T. (1989)
  43. 10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
  44. 10.1103/PhysRevB.33.8822 / Phys. Rev. B by Perdew J. P. (1986)
  45. 10.1139/p80-159 / Can. J. Phys. by Vosko S. H. (1980)
  46. 10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew J. P. (1996)
  47. 10.1103/PhysRevB.59.7413 / Phys. Rev. B by Hammer B. (1999)
  48. Patchkovskii, S.Self-Consistent Implementation ofPerdew-Burke-Ernzerhof and related GGAs in ADF. Technical Report, Calgary, 2000.
  49. 10.1002/(SICI)1097-461X(1999)75:4/5<863::AID-QUA51>3.0.CO;2-T / Int. J. Quantum Chem. by Matveev A. (1999)
  50. 10.1063/1.460688 / J. Chem. Phys. by Hamrick Y. M. (1991)
  51. 10.1021/j100160a022 / J. Phys. Chem. by Knight L. B. (1991)
  52. 10.1016/0009-2614(93)E1412-A / Chem Phys. Lett. by Van Zee R. J. (1994)
  53. {'key': 'jp010457ab00054/jp010457ab00054_1', 'first-page': '237', 'volume': '105', 'author': 'Knight L. B.', 'year': '1996', 'journal-title': 'III J. Chem. Phys.'} / III J. Chem. Phys. by Knight L. B. (1996)
  54. 10.1080/00268976500100761 / Mol Phys. by Curl R. F. (1965)
  55. 10.1063/1.1673898 / J. Chem. Phys. by Knight L. B. (1970)
  56. 10.1080/00268976900101381 / Mol. Phys. by Carrington A. (1969)
  57. 10.1063/1.1841090 / J. Chem. Phys. by Kayama K. (1967)
  58. 10.1063/1.481183 / J. Chem. Phys. by Desmarais N. (2000)
  59. 10.1002/(SICI)1097-458X(199905)37:5<353::AID-MRC459>3.0.CO;2-W / J. Magn. Res. Chem. by Berces A. (1999)
  60. 10.1021/ja00246a004 / J. Am. Chem. Soc. by Knight L. B. (1987)
  61. 10.1103/PhysRev.97.951 / Phys. Rev. by Tinkham M. (1955)
  62. 10.1246/bcsj.42.886 / Bull. Chem. Soc. Jpn. by Uehara H. (1969)
  63. 10.1139/p66-183 / Can. J. Phys. by Douglas A. E. (1966)
  64. 10.1063/1.446341 / J. Chem. Phys. by Yamada C. (1983)
  65. 10.1063/1.477354 / J. Chem. Phys. by Sakamaki T. (1998)
  66. 10.1063/1.479938 / J. Chem. Phys. by Sakamaki T. (1999)
  67. 10.1063/1.456148 / J. Chem. Phys. by Knight L. B. (1989)
  68. 10.1063/1.454346 / J. Chem. Phys. by Knight L. B. (1988)
  69. 10.1063/1.458355 / J. Chem. Phys. by Knight L. B. (1990)
  70. 10.1063/1.464767 / J. Chem. Phys. by Knight L. B. (1993)
  71. 10.1063/1.454630 / J. Chem. Phys. by Knight L. B. (1988)
  72. 10.1063/1.1669987 / J. Chem. Phys. by Kasai P. H. (1968)
  73. 10.1063/1.480015 / J. Chem. Phys. by Namiki K.-i. C. (1999)
  74. 10.1063/1.465000 / J. Chem. Phys. by Knight L. B. (1993)
  75. 10.1063/1.1682044 / J. Chem. Phys. by Brom J. M. (1974)
  76. 10.1063/1.470511 / J. Chem. Phys. by Van Zee R. J. (1995)
  77. 10.1016/0009-2614(91)90354-C / Chem. Phys. Lett. by Hamrick Y. M. (1991)
  78. 10.1063/1.458086 / J. Chem. Phys. by Cheeseman M. (1990)
  79. 10.1063/1.443462 / J. Chem. Phys. by Knight L. B. (1982)
Dates
Type When
Created 23 years, 1 month ago (July 26, 2002, 12:58 a.m.)
Deposited 3 years, 10 months ago (Oct. 11, 2021, 3:08 p.m.)
Indexed 1 month, 3 weeks ago (July 8, 2025, 3:44 a.m.)
Issued 24 years, 3 months ago (May 11, 2001)
Published 24 years, 3 months ago (May 11, 2001)
Published Online 24 years, 3 months ago (May 11, 2001)
Published Print 24 years, 3 months ago (June 1, 2001)
Funders 0

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@article{Patchkovskii_2001, title={Calculation of the EPR g-Tensors of High-Spin Radicals with Density Functional Theory}, volume={105}, ISSN={1520-5215}, url={http://dx.doi.org/10.1021/jp010457a}, DOI={10.1021/jp010457a}, number={22}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Patchkovskii, S. and Ziegler, T.}, year={2001}, month=may, pages={5490–5497} }