Crossref journal-article
American Chemical Society (ACS)
Journal of Chemical Theory and Computation (316)
Bibliography

Parac, M., Etinski, M., Peric, M., & Grimme, S. (2005). A Theoretical Investigation of the Geometries and Binding Energies of Molecular Tweezer and Clip Host−Guest Systems. Journal of Chemical Theory and Computation, 1(6), 1110–1118.

Authors 4
  1. Maja Parac (first)
  2. Mihajlo Etinski (additional)
  3. Miljenko Peric (additional)
  4. Stefan Grimme (additional)
References 57 Referenced 63
  1. 10.1002/3527607439 / Supramolecular Chemistry. Concepts and Perspectives by Lehn J. M. (1995)
  2. {'key': 'ct050122nb00002/ct050122nb00002_1', 'volume-title': 'Comprehensive Supramolecular Chemistry', 'author': 'Atwood J. L.', 'year': '1996'} / Comprehensive Supramolecular Chemistry by Atwood J. L. (1996)
  3. {'key': 'ct050122nb00003/ct050122nb00003_1', 'volume-title': 'An Introduction of Hydrogen Bonding', 'author': 'Jeffrey G. A.', 'year': '1997'} / An Introduction of Hydrogen Bonding by Jeffrey G. A. (1997)
  4. {'key': 'ct050122nb00004/ct050122nb00004_1', 'first-page': '3796', 'volume': '6', 'author': 'Cho Y. L.', 'year': '2000', 'journal-title': 'Chem. Eur. J.'} / Chem. Eur. J. by Cho Y. L. (2000)
  5. {'key': 'ct050122nb00005/ct050122nb00005_1', 'first-page': '2426', 'volume': '40', 'author': 'Prins L. J.', 'year': '2001', 'journal-title': 'Angew. Chem., Int. Ed.'} / Angew. Chem., Int. Ed. by Prins L. J. (2001)
  6. {'key': 'ct050122nb00006/ct050122nb00006_1', 'first-page': '11193', 'volume': '120', 'author': 'Kim E.', 'year': '1998', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. by Kim E. (1998)
  7. 10.1016/S0040-4039(98)02692-6 / Tetrahedron Lett. by Raposo C. (1999)
  8. 10.1021/ja991755c / J. Am. Chem. Soc. by Gallivan J. P. (2000)
  9. 10.1021/cr9800255 / J. Chem. Rev. by Hobza P. (1999)
  10. {'key': 'ct050122nb00010/ct050122nb00010_1', 'volume-title': 'Encyclopedia of Computational Chemistry', 'author': 'Šponer J.', 'year': '2001'} / Encyclopedia of Computational Chemistry by Šponer J. (2001)
  11. {'key': 'ct050122nb00011/ct050122nb00011_1', 'first-page': '1707', 'volume': '5', 'author': 'Klärner F. G.', 'year': '1999', 'journal-title': 'Chem. Eur. J.'} / Chem. Eur. J. by Klärner F. G. (1999)
  12. 10.1007/PL00010733 / J. Mol. Model. by Klärner F. G. (2000)
  13. 10.1002/1099-1395(200010)13:10<604::AID-POC271>3.0.CO;2-7 / J. Phys. Org. Chem. by Klärner F. G. (2000)
  14. 10.1016/S0040-4020(01)00230-7 / Tetrahedron by Klärner F. G. (2001)
  15. 10.1002/poc.477 / J. Phys. Org. Chem. by Ruloff R. (2002)
  16. 10.1021/ar0200448 / Acc. Chem. Res. by Klärner F. G. (2003)
  17. 10.1002/chem.200304919 / Chem. Eur. J. by Klärner F. G. (2003)
  18. {'key': 'ct050122nb00018/ct050122nb00018_1', 'first-page': '1423', 'volume': '1405', 'author': 'Klärner F. G.', 'year': '2004', 'journal-title': 'Eur. J. Org. Chem.'} / Eur. J. Org. Chem. by Klärner F. G. (2004)
  19. {'key': 'ct050122nb00019/ct050122nb00019_1', 'first-page': '13164', 'volume': '126', 'author': 'Chang C. E.', 'year': '2004', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. by Chang C. E. (2004)
  20. {'key': 'ct050122nb00020/ct050122nb00020_1', 'first-page': '720', 'volume': '40', 'author': 'Brown S. P.', 'year': '2001', 'journal-title': 'Angew. Chem., Int. Ed.'} / Angew. Chem., Int. Ed. by Brown S. P. (2001)
  21. 10.1006/snmr.2002.0085 / Solid State Nucl. Magn. Reson. by Ochsenfeld C. (2002)
  22. 10.1103/PhysRev.46.618 / Phys. Rev. by Møller C. (1934)
  23. {'key': 'ct050122nb00023/ct050122nb00023_1', 'volume-title': 'Encyclopedia of Computational Chemistry', 'author': 'Cremer', 'year': '1998'} / Encyclopedia of Computational Chemistry by Cremer (1998)
  24. 10.1063/1.1630953 / J. Chem. Phys. by Tsuzuki S. (2004)
  25. 10.1021/ja025896h / J. Am. Chem. Soc. by Sinnokrot M. O. (2002)
  26. 10.1063/1.1569242 / J. Chem. Phys. by Grimme S. (2003)
  27. {'key': 'ct050122nb00027/ct050122nb00027_1', 'first-page': '557', 'volume': '19', 'author': 'Boys S. F.', 'year': '1970', 'journal-title': 'Mol. Phys.'} / Mol. Phys. by Boys S. F. (1970)
  28. 10.1002/jcc.20078 / J. Comput. Chem. by Grimme S. (2004)
  29. {'key': 'ct050122nb00029/ct050122nb00029_1', 'first-page': '1370', 'volume': '21', 'author': 'Zou B.', 'year': '2005', 'journal-title': 'Langmuir'} / Langmuir by Zou B. (2005)
  30. {'key': 'ct050122nb00030/ct050122nb00030_1', 'first-page': '1558', 'volume': '6', 'author': 'Piacenza M.', 'year': '2005', 'journal-title': 'Chem. Phys. Chem.'} / Chem. Phys. Chem. by Piacenza M. (2005)
  31. 10.1063/1.1412004 / J. Chem. Phys. by Wu X. (2001)
  32. {'key': 'ct050122nb00032/ct050122nb00032_1', 'first-page': '524', 'volume': '116', 'author': 'Wu Q.', 'year': '2002', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Wu Q. (2002)
  33. 10.1063/1.1329889 / J. Chem. Phys. by Elstner M. (2001)
  34. 10.1103/PhysRevLett.76.102 / Phys. Rev. Lett. by Andersson Y. (1996)
  35. 10.1103/PhysRevLett.93.153004 / Phys. Rev. Lett. by von Lilienfeld O. A. (2004)
  36. 10.1063/1.1884601 / J. Chem. Phys. by Becke A. D. (2005)
  37. 10.1063/1.1884112 / J. Chem. Phys. by Furche F. (2005)
  38. {'key': 'ct050122nb00038/ct050122nb00038_1', 'first-page': '1626', 'volume': '7', 'author': 'Šponer J.', 'year': '2005', 'journal-title': 'Phys. Chem. Chem. Phys.'} / Phys. Chem. Chem. Phys. by Šponer J. (2005)
  39. 10.1021/jp030880e / J. Phys. Chem. by Sinnokrot M. O. (2003)
  40. 10.1002/qua.560100211 / Int. J. Quantum Chem. by Kitaura K. (1976)
  41. 10.1002/9780470125922.ch1 / Reviews in Computational Chemistry by Bickelhaupt F. M. (2000)
  42. {'key': 'ct050122nb00042/ct050122nb00042_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)
  43. 10.1002/3527600043 / A Chemist's Guide to Density Functional Theory by Koch W. (2001)
  44. TURBOMOLE (Vers. 5.6); Ahlrichs, R.; Bär, M.; Baron, H.P.; Bauernschmitt, R.; Böcker, S.; Ehrig, M.; Eichkorn, K.; Elliott, S.; Furche, F.; Haase, F.; Häser, M.; Horn, H.; Huber, C.; Huniar, U.; Kattannek, M.; Kölmel, C.; Kollwitz, 1118 M.; May, K.; Ochsenfeld, C. Öhm, H.; Schäfer, A.; Schneider, U.; Treutler, O.; von Arnim, M.; Weigend, F.; Weis, P.; Weiss, H. Universität Karlsruhe, 2003. See also: http://www.turbomole.com.
  45. 10.1103/PhysRevA.38.3098 / Phys. Rev. A by Becke A. D. (1988)
  46. 10.1103/PhysRevB.37.785 / Phys. Rev. B by Lee C. (1988)
  47. 10.1016/0009-2614(95)00621-A / Chem. Phys. Lett. by Eichkorn K. (1995)
  48. 10.1007/s002140050269 / Theor. Chem. Acc. by Weigend F. (1997)
  49. 10.1063/1.1445115 / J. Chem. Phys. by Weigend F. (2001)
  50. 10.1007/s002140050244 / Theor. Chem. Acc. by Eichkorn K. (1997)
  51. 10.1063/1.467146 / J. Chem. Phys. by Schäfer A. (1994)
  52. 10.1063/1.456153 / J. Chem. Phys. by Dunning T. H. (1989)
  53. 10.1002/chem.200400091 / Chem. Eur. J. by Grimme S. (2004)
  54. 10.1021/ja045276b / J. Am. Chem. Soc. by Swart M. (2004)
  55. Jeziorski, B.; Szalewicz, K. InEncyclopedia of Computational Chemisty; von Rague-Schleyer, P., Ed.; J. Wiley:  New York, 1998; Vol. 2, p 1376.
  56. 10.1063/1.1824898 / J. Chem. Phys. by Hesselmann A. (2005)
  57. {'key': 'ct050122nb00058/ct050122nb00058_1', 'volume-title': 'Die chemische Bindung', 'author': 'Kutzelnigg W.', 'year': '1978'} / Die chemische Bindung by Kutzelnigg W. (1978)
Dates
Type When
Created 19 years, 9 months ago (Nov. 8, 2005, 12:45 a.m.)
Deposited 1 year, 7 months ago (Jan. 31, 2024, 8:56 a.m.)
Indexed 1 month ago (July 30, 2025, 10:20 a.m.)
Issued 19 years, 11 months ago (Sept. 20, 2005)
Published 19 years, 11 months ago (Sept. 20, 2005)
Published Online 19 years, 11 months ago (Sept. 20, 2005)
Published Print 19 years, 10 months ago (Nov. 1, 2005)
Funders 0

None

@article{Parac_2005, title={A Theoretical Investigation of the Geometries and Binding Energies of Molecular Tweezer and Clip Host−Guest Systems}, volume={1}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct050122n}, DOI={10.1021/ct050122n}, number={6}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Parac, Maja and Etinski, Mihajlo and Peric, Miljenko and Grimme, Stefan}, year={2005}, month=sep, pages={1110–1118} }