-
1
-
-
84878405079
-
-
S. Shaik, H. S. Rzepa, R. Hoffmann, Angew. Chem. 2013, 125, 3094
-
(2013)
Angew. Chem.
, vol.125
, pp. 3094
-
-
Shaik, S.1
Rzepa, H.S.2
Hoffmann, R.3
-
3
-
-
84863116336
-
-
S. Shaik, D. Danovich, W. Wu, P. Su, H. S. Rzepa, P. C. Hiberty, Nat. Chem. 2012, 4, 195.
-
(2012)
Nat. Chem.
, vol.4
, pp. 195
-
-
Shaik, S.1
Danovich, D.2
Wu, W.3
Su, P.4
Rzepa, H.S.5
Hiberty, P.C.6
-
6
-
-
0003588966
-
-
Krieger, Malabar, p.
-
G. Herzberg, Molecular Spectra and Molecular Structure, Vol.II, Krieger, Malabar, 1991, p. 180.
-
(1991)
Molecular Spectra and Molecular Structure, Vol.II
, pp. 180
-
-
Herzberg, G.1
-
8
-
-
2342503991
-
-
P. G. Szalay, L. S. Thøgersen, J. Olsen, M. Kállay, J. Gauss, J. Phys. Chem. A 2004, 108, 3030.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 3030
-
-
Szalay, P.G.1
Thøgersen, L.S.2
Olsen, J.3
Kállay, M.4
Gauss, J.5
-
9
-
-
84878391817
-
-
http://webbook.nist.gov/chemistry/.
-
-
-
-
10
-
-
0000343791
-
-
2, which are higher in energy, because the gain in the bonding interactions does not compensate for the excitation energy:, M. Pecul, M. Jaszunski, H. Larsen, P. Jørgensen, J. Chem. Phys. 2000, 112, 3671.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 3671
-
-
Pecul, M.1
Jaszunski, M.2
Larsen, H.3
Jørgensen, P.4
-
11
-
-
0003392735
-
-
Natl. Bur. Stand., U.S. GPO, Washington, D.C., Circ. No. 467.
-
C.E. Moore, Atomic Energy Levels, Natl. Bur. Stand., U.S. GPO, Washington, D.C., 1949, Circ. No. 467.
-
(1949)
Atomic Energy Levels
-
-
Moore, C.E.1
-
15
-
-
0000238248
-
-
for a discussion of the bonding model, see:, M. Driess, H.-J. Grützmacher, Angew. Chem. 1996, 108, 900
-
(1996)
Angew. Chem.
, vol.108
, pp. 900
-
-
Driess, M.1
Grützmacher, H.-J.2
-
17
-
-
0003947806
-
-
Wiley, New York
-
u MO, which means that the effective formal bond order of the Hartree-Fock configuration (Figure2 a) is higher than two. A detailed discussion of the orbital interactions in diatomic molecules is given in:, T. A. Albright, J. K. Burdett, M. H. Whangbo, Orbital Interactions in Chemistry, Wiley, New York, 1985.
-
(1985)
Orbital Interactions in Chemistry
-
-
Albright, T.A.1
Burdett, J.K.2
Whangbo, M.H.3
-
20
-
-
46849100035
-
-
F. Najar, D. BenAbdallah, N. Jaidane, Z. BenLakhdar, Chem. Phys. Lett. 2008, 460, 31.
-
(2008)
Chem. Phys. Lett.
, vol.460
, pp. 31
-
-
Najar, F.1
Benabdallah, D.2
Jaidane, N.3
Benlakhdar, Z.4
-
21
-
-
4244203058
-
-
M. Guilhaus, A. G. Brenton, J. H. Beynon, M. Rabenovic, P. v. R. Schleyer, J. Phys. B 1984, 17, L605
-
(1984)
J. Phys. B
, vol.17
-
-
Guilhaus, M.1
Brenton, A.G.2
Beynon, J.H.3
Rabenovic, M.4
Schleyer V. P, R.5
-
22
-
-
0002326070
-
-
Springer, Heidelberg, p.
-
G. Frenking, D. Cremer, Structure and Bonding, Vol.73, Springer, Heidelberg, 1990, p. 17-95.
-
(1990)
Structure and Bonding
, vol.73
, pp. 17-95
-
-
Frenking, G.1
Cremer, D.2
-
26
-
-
33845734259
-
-
A. Krapp, F. M. Bickelhaupt, G. Frenking, Chem. Eur. J. 2006, 12, 9196.
-
(2006)
Chem. Eur. J.
, vol.12
, pp. 9196
-
-
Krapp, A.1
Bickelhaupt, F.M.2
Frenking, G.3
-
29
-
-
77958048834
-
-
(Eds.: C.F. Matta, R.J. Boyd), Wiley-VCH, Weinheim.
-
The Quantum Theory of Atoms in Molecules (Eds.:, C.F. Matta, R.J. Boyd,), Wiley-VCH, Weinheim, 2007.
-
(2007)
The Quantum Theory of Atoms in Molecules
-
-
|