-
2
-
-
0035837261
-
-
Erements, M. L.; Russell, R. J.; Mao, H. K.; Greforyanz, E. Nature 2001, 411, 170.
-
(2001)
Nature
, vol.411
, pp. 170
-
-
Erements, M.L.1
Russell, R.J.2
Mao, H.K.3
Greforyanz, E.4
-
4
-
-
84906407863
-
-
Iota, V.; Yoo, C.-S.; Klepeis, J.-H.; Jenei, Z.; Evans, W.; Cynn, H. Nat. Mater. 2007, 6 (34), 10022.
-
(2007)
Nat. Mater
, vol.6
, Issue.34
, pp. 10022
-
-
Iota, V.1
Yoo, C.-S.2
Klepeis, J.-H.3
Jenei, Z.4
Evans, W.5
Cynn, H.6
-
5
-
-
84906367284
-
-
(a) House, K. Z.; Schrag, D. P.; Harvey, C. F.; Lackner, K. S. PNAS 2006, 103, 12299.
-
(2006)
PNAS
, vol.103
, pp. 12299
-
-
House, K.Z.1
Schrag, D.P.2
Harvey, C.F.3
Lackner, K.S.4
-
6
-
-
4243171698
-
-
(b) Yoo, C.-S.; Cynn, H.; Gygi, F.; Galli, G.; Nicol, M.; Häusermann, D.; Carlson, S.; Mailhiot, C. Phys. Rev. Lett. 1999, 83, 5527.
-
(1999)
Phys. Rev. Lett
, vol.83
, pp. 5527
-
-
Yoo, C.-S.1
Cynn, H.2
Gygi, F.3
Galli, G.4
Nicol, M.5
Häusermann, D.6
Carlson, S.7
Mailhiot, C.8
-
8
-
-
0141788105
-
-
Bonev, S. A.; Gygi, F.; Ogitsu, T.; Galli, G. Phys. Rev. Lett. 2003, 97, 065501.
-
(2003)
Phys. Rev. Lett
, vol.97
, pp. 065501
-
-
Bonev, S.A.1
Gygi, F.2
Ogitsu, T.3
Galli, G.4
-
10
-
-
50949105821
-
-
(a) Contreras-García, J.; Martín Pendás, A.; Silvi, B.; Recio, J. M. J. Phys. Chem. Solids 2008, 69, 2204.
-
(2008)
J. Phys. Chem. Solids
, vol.69
, pp. 2204
-
-
Contreras-García, J.1
Martín Pendás, A.2
Silvi, B.3
Recio, J.M.4
-
13
-
-
36549030469
-
-
Martín Pendás, A. M.; Francisco, E.; Blanco, M. A.; Gatti, C. Chem-Eur. J. 2007, 13, 9362.
-
(2007)
Chem-Eur. J
, vol.13
, pp. 9362
-
-
Martín Pendás, A.M.1
Francisco, E.2
Blanco, M.A.3
Gatti, C.4
-
14
-
-
33748225339
-
-
(a) Savin, A.; Becke, A. D.; Flad, J.; Nesper, R.; Preuss, H.; von Schnering, H. G. Angew. Chem., Int. Ed. Engl. 1991, 30, 409.
-
(1991)
Angew. Chem., Int. Ed. Engl
, vol.30
, pp. 409
-
-
Savin, A.1
Becke, A.D.2
Flad, J.3
Nesper, R.4
Preuss, H.5
von Schnering, H.G.6
-
15
-
-
33745374559
-
-
(b) Savin, A.; Jepsen, O.; Flad, J.; Andersen, O. K.; Preuss, H.; von Schnering, H. G. Angew. Chem., Int. Ed. Engl. 1992, 31, 187.
-
(1992)
Angew. Chem., Int. Ed. Engl
, vol.31
, pp. 187
-
-
Savin, A.1
Jepsen, O.2
Flad, J.3
Andersen, O.K.4
Preuss, H.5
von Schnering, H.G.6
-
16
-
-
0000370497
-
-
(c) Savin, A.; Nesper, R.; Wengert, S.; Fässler, T. F. Angew. Chem., Int. Ed. Engl. 1997, 36, 1809.
-
(1997)
Angew. Chem., Int. Ed. Engl
, vol.36
, pp. 1809
-
-
Savin, A.1
Nesper, R.2
Wengert, S.3
Fässler, T.F.4
-
18
-
-
33748225446
-
-
Häussermann, U.; Wengert, S.; Nesper, R. Angew. Chem., Int. Ed. Engl. 1994, 33, 2069.
-
(1994)
Angew. Chem., Int. Ed. Engl
, vol.33
, pp. 2069
-
-
Häussermann, U.1
Wengert, S.2
Nesper, R.3
-
19
-
-
0030166214
-
-
(a) Savin, A.; Silvi, B.; Colonna, F. Can. J. Chem. 1996, 74, 1088.
-
(1996)
Can. J. Chem
, vol.74
, pp. 1088
-
-
Savin, A.1
Silvi, B.2
Colonna, F.3
-
20
-
-
0035627397
-
-
(b) Calatayud, M.; Andrés, J.; Beltrán, A.; Silvi, B. Theor. Chem. Acc. 2001, 105, 299.
-
(2001)
Theor. Chem. Acc
, vol.105
, pp. 299
-
-
Calatayud, M.1
Andrés, J.2
Beltrán, A.3
Silvi, B.4
-
21
-
-
0036026622
-
-
Kohout, M.; Wagner, F. R.; Grin, Y. Theor. Chem. Acc. 2002, 108, 150.
-
(2002)
Theor. Chem. Acc
, vol.108
, pp. 150
-
-
Kohout, M.1
Wagner, F.R.2
Grin, Y.3
-
23
-
-
33646393790
-
-
Gutierrez-Oliva, S.; Joubert, L.; Adamo, C.; Bulat, F.; Zagal, J.; Toro-Labbe, A. J. Phys. Chem. A 2006, 110, 5102.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 5102
-
-
Gutierrez-Oliva, S.1
Joubert, L.2
Adamo, C.3
Bulat, F.4
Zagal, J.5
Toro-Labbe, A.6
-
26
-
-
28144433627
-
-
Nalewajski, R. F.; Köster, A. M.; Escalante, S. J. Phys. Chem. A 2005, 109, 10038.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 10038
-
-
Nalewajski, R.F.1
Köster, A.M.2
Escalante, S.3
-
27
-
-
0003867643
-
-
University of Torino: Torino Italy
-
Saunders, V. R.; Dovesi, R.; Roetti, C.; Causá, M.; Harrison, N. M.; Orlando, R.; Zicovich-Wilson, C. M. CRYSTAL98 User's Manual; University of Torino: Torino (Italy), 1998.
-
(1998)
CRYSTAL98 User's Manual
-
-
Saunders, V.R.1
Dovesi, R.2
Roetti, C.3
Causá, M.4
Harrison, N.M.5
Orlando, R.6
Zicovich-Wilson, C.M.7
-
28
-
-
0001340639
-
-
Gatti, C.; Saunders, V.; Roetti, C. J. Chem. Phys. 1994,101, 10686.
-
(1994)
J. Chem. Phys
, vol.101
, pp. 10686
-
-
Gatti, C.1
Saunders, V.2
Roetti, C.3
-
30
-
-
41949121296
-
-
Mori-Sánchez, P.; Cohen, A. J.; Yang, W. Phys. Rev. Lett. 2008, 100, 146401.
-
(2008)
Phys. Rev. Lett
, vol.100
, pp. 146401
-
-
Mori-Sánchez, P.1
Cohen, A.J.2
Yang, W.3
-
31
-
-
0032170030
-
-
Noury, S.; Colonna, F.; Savin, A.; Silvi, B. J. Molec. Struct. 1998 450, 59.
-
(1998)
Molec. Struct
, vol.450
, pp. 59
-
-
Noury, S.1
Colonna, F.2
Savin, A.3
Silvi, B.J.4
-
33
-
-
0028063929
-
-
Aoki, K.; Yamawaki, H.; Sakashita, M.; Gotch, T.; Takemura, K. Science 1994, 263, 356.
-
(1994)
Science
, vol.263
, pp. 356
-
-
Aoki, K.1
Yamawaki, H.2
Sakashita, M.3
Gotch, T.4
Takemura, K.5
-
34
-
-
0027946619
-
-
Isolated molecules with multiple bonds are characterized by a degenerated maximum of ELF surrounding the internuclear line. Silvi, B, Savin, A. Nature 1994, 371, 683
-
Isolated molecules with multiple bonds are characterized by a degenerated maximum of ELF surrounding the internuclear line. Silvi, B.; Savin, A. Nature 1994, 371, 683)
-
-
-
-
35
-
-
84906369988
-
-
cv = 0.1, V(O) = 4.7, and V(C,O) = 3.09. The variance of V(C,O) is 1.52, and the V(O)-V(C,O) covariance is-0.96. This is consistent with a mesomeric superperposition involving the O=C-O and O-C=O partially ionic structures in addition to O=C=O.
-
cv = 0.1, V(O) = 4.7, and V(C,O) = 3.09. The variance of V(C,O) is 1.52, and the V(O)-V(C,O) covariance is-0.96. This is consistent with a mesomeric superperposition involving the O=C-O and O-C=O partially ionic structures in addition to O=C=O.
-
-
-
-
37
-
-
0035127699
-
-
(b) Yoo, C.-S.; Iota, V.; Cynn, H. Phys. Rev. Lett. 2001, 86, 444.
-
(2001)
Phys. Rev. Lett
, vol.86
, pp. 444
-
-
Yoo, C.-S.1
Iota, V.2
Cynn, H.3
-
38
-
-
0038572174
-
-
Yoo, C.-S.; Kohlmann, H.; Cynn, H.; Nicol, M. F.; Iota, V.; Le Bihan, T. Phys. Rev. B 2002, 65, 104103.
-
(2002)
Phys. Rev. B
, vol.65
, pp. 104103
-
-
Yoo, C.-S.1
Kohlmann, H.2
Cynn, H.3
Nicol, M.F.4
Iota, V.5
Le Bihan, T.6
-
39
-
-
0141763829
-
-
Park, J.-H.; Yoo, C.-S.; Iota, V.; Cynn, H.; Nicol, M. F.; Le Bihan, T. Phys. Rev. B 2003, 68, 014107.
-
(2003)
Phys. Rev. B
, vol.68
, pp. 014107
-
-
Park, J.-H.1
Yoo, C.-S.2
Iota, V.3
Cynn, H.4
Nicol, M.F.5
Le Bihan, T.6
-
40
-
-
34250878377
-
-
Grochala, W.; Hoffmann, R.; Fenf, J.; Ashcroft, N. W. Angew. Chem., Int. Ed. 2000, 46, 3620.
-
(2000)
Angew. Chem., Int. Ed
, vol.46
, pp. 3620
-
-
Grochala, W.1
Hoffmann, R.2
Fenf, J.3
Ashcroft, N.W.4
|