Erratum: Forced bonding and QTAIM deficiencies: A case study of the nature of interactions in He@adamantane and the origin of the high metastability (Chemistry - A European Journal (2013) 19 DOI: 10.1002/chem.201300317);Forced bonding and QTAIM deficiencies: A case study of the nature of interactions in he@adamantane and the origin of the high metastability

Chemistry - A European Journal

Volumn 19, Issue 33, 2013, Pages 10945-10957

  Demy'Anov, Piotr I ^a   Polestshuk, Pavel M ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

bond theory; electron density distribution; He@adamantane; IQA analysis; metastability; QTAIM analysis

Indexed keywords

CARBON; ELECTRONIC DENSITY OF STATES; QUANTUM THEORY;

ADAMANTANES; BOND THEORY; IQA ANALYSIS; METASTABILITIES; QTAIM ANALYSIS;

ATOMS;

EID: 84881226630     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201303597     Document Type: Erratum

References (110)

1. R. F. W. Bader, Atoms in Molecules: A Quantum Theory., Oxford University Press, Oxford (UK), 1990
2. P. L. A. Popelier, Atoms in Molecules. An Introduction, Pearson Education, Harlow (UK), 2000
3. C. F. Matta, R. J. Boyd, in The Quantum Theory of Atoms in Molecules (Eds.:, C. F. Matta, R. J. Boyd,), WILEY-VCH, Weinheim, 2007, p. 527.
4. R. F. W. Bader, J. Phys. Chem. A 1998, 102, 7314-7323
5. F. Cortés-Guzmán, R. F. W. Bader, Coord. Chem. Rev. 2005, 249, 633-662
6. R. F. W. Bader, J. Phys. Chem. A 2009, 113, 10391-10396
7. R. F. W. Bader, J. Phys. Chem. A 2010, 114, 7431-7444
8. R. F. W. Bader, Found. Chem. 2011, 13, 11-37.
9. R. F. W. Bader, Chem. Eur. J. 2006, 12, 2896-2901
10. R. F. W. Bader, Chem. Eur. J. 2006, 12, 7769-7772.
11. J. Cioslowski, S. T. Mixon, W. D. Edwards, J. Am. Chem. Soc. 1991, 113, 1083-1085
12. J. Cioslowski, S. T. Mixon, J. Am. Chem. Soc. 1992, 114, 4382-4387
13. J. Cioslowski, S. T. Mixon, Can. J. Chem. 1992, 70, 443-449
14. J. Cioslowski, L. Edgington, B. B. Stefanov, J. Am. Chem. Soc. 1995, 117, 10381-10384
15. J. D. Dunitz, A. Gavezzotti, Angew. Chem. 2005, 117, 1796-1819
16. Angew. Chem. Int. Ed. 2005, 44, 1766-1787
17. J. Poater, M. Solà, F. M. Bickelhaupt, Chem. Eur. J. 2006, 12, 2889-2895
18. J. Poater, M. Solà, F. M. Bickelhaupt, Chem. Eur. J. 2006, 12, 2902-2905
19. G. Frenking, C. Esterhuysen, A. Kovacs, Chem. Eur. J. 2006, 12, 7773-7774
20. J. Poater, R. Visser, M. Solá, F. M. Bickelhaupt, J. Org. Chem. 2007, 72, 1134-1142
21. A. M. Pendás, E. Francisco, M. A. Blanco, C. Gatti, Chem. Eur. J. 2007, 13, 9362-9371
22. A. Krapp, G. Frenking, Chem. Eur. J. 2007, 13, 8256-8270
23. J. D. Dunitz, A. Gavezzotti, Chem. Soc. Rev. 2009, 38, 2622-2633
24. E. Cerpa, A. Krapp, A. Vela, G. Merino, Chem. Eur. J. 2008, 14, 10232-10234
25. E. Cerpa, A. Krapp, R. Flores-Moreno, K. J. Donald, G. Merino, Chem. Eur. J. 2009, 15, 1985-1990
26. S. Grimme, C. Mück-Lichtenfeld, G. Erker, G. Kehr, H. Wang, H. Beckers, H. Willner, Angew. Chem. 2009, 121, 2629-2633
27. Angew. Chem. Int. Ed. 2009, 48, 2592-2595
28. P. I. Dem'yanov, P. M. Poleshchuk, I. P. Gloriozov, A. Y. Vasil'kov, Russ. J. Phys. Chem. A 2010, 84, 1731-1744
29. M. Jabłoński, J. Phys. Chem. A 2012, 116, 3753-3764
30. S. Mebs, M. A. Chilleck, S. Grabowsky, T. Braun, Chem. Eur. J. 2012, 18, 11647-11661.
31. K. Morokuma, J. Chem. Phys. 1971, 55, 1236-1244
32. K. Kitaura, K. Morokuma, Int. J. Quantum Chem. 1976, 10, 325-340
33. T. Ziegler, A. Rauk, Theor. Chim. Acta 1977, 46, 1-10
34. F. M. Bickelhaupt, E. J. Baerends, Rev. Comput. Chem. 2000, 15, 1-86
35. G. Frenking, M. von Hopffgarten, in Computational Inorganic and Bioinorganic Chemistry (Eds.:, E. I. Solomon, R. A. Scott, R. B. King,), Wiley, New York, 2009, pp. 3-16
36. M. von Hopffgarten, G. Frenking, WIREs Comput. Mol. Sci. 2012, 2, 43-62
37. W. Gao, H. Feng, X. Xuan, L. Chen, J. Mol. Model. 2012, 18, 4577-4589.
38. P. Macchi, A. Sironi, Coord. Chem. Rev. 2003, 238-239, 383-412
39. L. J. Farrugia, C. Evans, M. Tegel, J. Phys. Chem. A 2006, 110, 7952-7961
40. C. Gatti, D. Lasi, Faraday Discuss. 2007, 135, 55-78
41. L. J. Farrugia, C. Evans, D. Lentz, M. Roemer, J. Am. Chem. Soc. 2009, 131, 1251-1268
42. R. Ponec, C. Gatti, Inorg. Chem. 2009, 48, 11024-11031
43. C. Gatti, Struct. Bonding (Berlin) 2012, 147, 193-285
44. P. I. Dem'yanov, P. M. Polestshuk, Chem. Eur. J. 2012, 18, 4982-4993.
45. A. M. Pendás, M. A. Blanco, E. Francisco, J. Chem. Phys. 2004, 120, 4581-4592
46. A. M. Pendás, E. Francisco, M. A. Blanco, J. Comput. Chem. 2005, 26, 344-351
47. M. A. Blanco, A. M. Pendás, E. Francisco, J. Chem. Theory Comput. 2005, 1, 1096-1109
48. E. Francisco, A. M. Pendás, M. A. Blanco, J. Chem. Theory Comput. 2006, 2, 90-102
49. A. M. Pendás, M. A. Blanco, E. Francisco, J. Chem. Phys. 2006, 125, 184112
50. A. M. Pendás, M. A. Blanco, E. Francisco, J. Comput. Chem. 2007, 28, 161-184
51. A. M. Pendás, M. A. Blanco, E. Francisco, J. Comput. Chem. 2009, 30, 98-109
52. M. García-Revilla, E. Francisco, A. Costales, A. M. Pendás, J. Phys. Chem. A 2012, 116, 1237-1250.
53. C. F. Matta, J. Hernández-Trujillo, T.-H. Tang, R. F. W. Bader, Chem. Eur. J. 2003, 9, 1940-1951
54. C. F. Matta, in Hydrogen Bonding-New Insights (Ed.:, S. J. Grabowski,), Springer, Dordrecht, 2006, pp. 337-375
55. J. Hernández-Trujillo, C. F. Matta, Struct. Chem. 2007, 18, 849-857.
56. D. Moran, H. L. Woodcock, Z. Chen, H. F. Schaefer III, P. von R. Schleyer, J. Am. Chem. Soc. 2003, 125, 11442-11451.
57. M. von Hopffgarten, G. Frenking, Chem. Eur. J. 2008, 14, 10227-10231.
58. A. Haaland, D. J. Shorokhov, N. V. Tverdova, Chem. Eur. J. 2004, 10, 4416-4421.
59. R. F. W. Bader, D.-C. Fang, J. Chem. Theory Comput. 2005, 1, 403-414.
60. R. F. W. Bader, H. Essén, J. Chem. Phys. 1984, 80, 1943-1960
61. M. T. Carroll, R. F. W. Bader, Mol. Phys. 1988, 65, 695-722
62. I. S. Bushmarinov, K. A. Lyssenko, M. Y. Antipin, Russ. Chem. Rev. 2009, 78, 283-302 and references therein.
63. C. F. Matta, N. Castillo, R. J. Boyd, J. Phys. Chem. A 2005, 109, 3669-3681
64. E. A. Zhurova, C. F. Matta, N. Wu, V. V. Zhurov, A. A. Pinkerton, J. Am. Chem. Soc. 2006, 128, 8849-8861
65. D. J. Wolstenholme, C. F. Matta, T. S. Cameron, J. Phys. Chem. A 2007, 111, 8803-8813
66. I. Cukrowski, C. F. Matta, Chem. Phys. Lett. 2010, 499, 66-69
67. I. Cukrowski, K. K. Govender, Inorg. Chem. 2010, 49, 6931-6941
68. I. Cukrowski, K. K. Govender, M. P. Mitoraj, M. Srebro, J. Phys. Chem. A 2011, 115, 12746-12757
69. I. S. Bushmarinov, I. V. Fedyanin, K. A. Lyssenko, V. L. Lapteva, S. A. Pisarev, V. A. Palyulin, N. S. Zefirov, M. Y. Antipin, J. Phys. Chem. A 2011, 115, 12738-12745.
70. P. L. A. Popelier, J. Phys. Chem. A 1998, 102, 1873-1878
71. C. Gatti, E. May, R. Destro, F. Cargnoni, J. Phys. Chem. A 2002, 106, 2707-2720.
72. T. A. Keith, AIMAll, Version 10-09-05, 2010, TK Gristmill Software, http://aim.tkgristmill.com.
73. T. Strenalyuk, A. Haaland, Chem. Eur. J. 2008, 14, 10223-10226.
74. G. Bucher, F. H. Köhler, R. Herges, J. Phys. Chem. A 2008, 112, 9906-9910.
75. S.-G. Wang, Y.-X. Qiu, W. H. E. Schwarz, Chem. Eur. J. 2009, 15, 6032-6040
76. S.-G. Wang, Y.-X. Qiu, W. H. E. Schwarz, Chem. Eur. J. 2010, 16, 9107-9116.
77. C. Møller, M. S. Plesset, Phys. Rev. 1934, 46, 618-622.
78. P.-O. Löwdin, Phys. Rev. 1955, 97, 1474-1489
79. P.-O. Löwdin, Phys. Rev. 1955, 97, 1490-1508
80. P.-O. Löwdin, Phys. Rev. 1955, 97, 1509-1520.
81. P. M. Polestshuk, J. Comput. Chem. 2013, 34, 206-219.
82. W. Hierse, P. M. Oppeneer, J. Chem. Phys. 1993, 99, 1278-1289.
83. R. F. W. Bader, P. M. Beddall, J. Chem. Phys. 1972, 56, 3320-3329
84. T. A. Keith, R. F. W. Bader, Y. Aray, Int. J. Quantum Chem. 1996, 57, 183-198
85. C. F. Matta, R. J. Boyd, in The Quantum Theory of Atoms in Molecules (Eds.:, C. F. Matta, R. J. Boyd,), Wiley-VCH, Weinheim, 2007, pp. 1-34.
86. R. F. W. Bader, M. A. Austen, J. Chem. Phys. 1997, 107, 4271-4285
87. R. F. W. Bader, J. Hernández-Trujillo, F. Cortés- Guzmán, J. Comput. Chem. 2007, 28, 4-14
88. V. G. Tsirelson, in An Introduction to the Quantum Theory of Atoms in Molecules (Eds.:, C. F. Matta, R. J. Boyd,), Wiley-VCH, Weinheim, 2007, pp. 259-283
89. Y. V. Nelyubina, M. Y. Antipin, K. A. Lyssenko, Russ. Chem. Rev. 2010, 79, 167-187
90. Y. V. Nelyubina, K. A. Lyssenko, Chem. Eur. J. 2012, 18, 12633-12636.
91. R. G. A. Bone, R. F. W. Bader, J. Phys. Chem. 1996, 100, 10892-10911
92. R. F. W. Bader, J. A. Platts, J. Chem. Phys. 1997, 107, 8545-8553.
93. R. F. W. Bader, M. E. Stephens, J. Am. Chem. Soc. 1975, 97, 7391-7399
94. X. Fradera, M. A. Austen, R. F. W. Bader, J. Phys. Chem. A 1999, 103, 304-314
95. J. Poater, M. Solà, M. Duran, X. Fradera, Theor. Chem. Acc. 2002, 107, 362-371
96. X. Fradera, J. Poater, S. Simon, M. Duran, M. Solà, Theor. Chem. Acc. 2002, 108, 214-224.
97. R. F. W. Bader, Adv. Quantum Chem. 2009, 57, 285-318.
98. V. F. Weisskopf, Science 1975, 187, 605-612.
99. A. M. Pendás, J. Chem. Phys. 2002, 117, 965-979.
100. T. B. Lee, M. L. McKee, J. Am. Chem. Soc. 2008, 130, 17610-17619.
101. R. F. W. Bader, M. T. Carroll, J. R. Cheeseman, C. Chang, J. Am. Chem. Soc. 1987, 109, 7968-7979
102. Y. H. Hu, E. Ruckenstein, J. Am. Chem. Soc. 2005, 127, 11277-11282.
103. X. Lu, T. Akasaka, S. Nagase, Chem. Commun. 2011, 47, 5942-5957
104. A. A. Popov, S. M. Avdoshenko, A. M. Pendás, L. Dunsch, Chem. Commun. 2012, 48, 8031-8050.
105. R. Tonner, G. Frenking, M. Lein, P. Schwerdtfeger, ChemPhysChem 2011, 12, 2081-2084.
106. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, J. A. Montgomery, Jr., J. Comput. Chem. 1993, 14, 1347-1363.
107. D. N. Laikov, Y. A. Ustynyuk, Russ. Chem. Bull. 2005, 54, 820-826.
108. F. Biegler-König, J. Schönbohm, J. Comput. Chem. 2002, 23, 1489-1494.
109. V. I. Lebedev, D. N. Laikov, Doklady Mathematics 1999, 59, 477-481.
110. A. D. Becke, J. Chem. Phys. 1988, 88, 2547-2553.