-
1
-
-
0011083499
-
Intermolecular interaction from a natural bond orbital, donor-acceptor viewpoint
-
Reed, A. E., Curtiss, L. A., Weinhold, F., Intermolecular interaction from a natural bond orbital, donor-acceptor viewpoint, Chem. Rev., 1988, 88: 899.
-
(1988)
Chem. Rev.
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
2
-
-
0001554896
-
A new method for empirical force field calculations on localized and delocalized carbocations
-
Reindl, B., Clark, T., Schleyer, P. v R., A new method for empirical force field calculations on localized and delocalized carbocations, J. Comput. Chem., 1996, 17: 1406.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 1406
-
-
Reindl, B.1
Clark, T.2
Schleyer, P.V.R.3
-
3
-
-
45149143328
-
Bonded tableau method for many-electron systems
-
Zhang, Q., Li, X., Bonded tableau method for many-electron systems, J. Mol. Struct., 1989, 198: 413.
-
(1989)
J. Mol. Struct.
, vol.198
, pp. 413
-
-
Zhang, Q.1
Li, X.2
-
4
-
-
33751158819
-
Theoretical resonance energies of benzene, cyclobutadiene and butadiene
-
Mo, Y., Wu, W., Zhang, Q., Theoretical resonance energies of benzene, cyclobutadiene and butadiene, J. Phys. Chem., 1994, 98: 10048.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 10048
-
-
Mo, Y.1
Wu, W.2
Zhang, Q.3
-
5
-
-
0001365878
-
Delocalization in the allyl cation, radical and anion
-
Mo, Y., Lin, Z., Wu, W. et al., Delocalization in the allyl cation, radical and anion, J. Phys. Chem., 1996, 100: 6469.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 6469
-
-
Mo, Y.1
Lin, Z.2
Wu, W.3
-
6
-
-
0030180582
-
Bond-distorted orbitals and effects of hybridization and resonance on C-C bond lengths
-
Mo, Y., Lin, Z., Wu, W. et al., Bond-distorted orbitals and effects of hybridization and resonance on C-C bond lengths, J. Phys. Chem., 1996, 100: 11569.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 11569
-
-
Mo, Y.1
Lin, Z.2
Wu, W.3
-
8
-
-
1842333329
-
Magnetic evidence for the aromaticity and antiaromaticity of charged fluorenyl, indenyl and cyclopentadienyl systems
-
Jiao, H., Schleyer, P. v R., Mo, Y. et al., Magnetic evidence for the aromaticity and antiaromaticity of charged fluorenyl, indenyl and cyclopentadienyl systems, J. Am. Chem. Soc., 1997, 119: 7075.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 7075
-
-
Jiao, H.1
Schleyer, P.V.R.2
Mo, Y.3
-
9
-
-
0031566017
-
Quantitative evaluation of hyperconjugation in the cyclopropylcarbinyl cation and in cyclopropylborane
-
Mo, Y., Schleyer, P. v R., Jiao, H. et al., Quantitative evaluation of hyperconjugation in the cyclopropylcarbinyl cation and in cyclopropylborane, Chem. Phys. Lett., 1997, 280: 439.
-
(1997)
Chem. Phys. Lett.
, vol.280
, pp. 439
-
-
Mo, Y.1
Schleyer, P.V.R.2
Jiao, H.3
-
10
-
-
0010922186
-
-
3, Gaussian Inc., Pittsburgh, PA
-
Frisch, M. J., Trucks, G. W., Schlegel, H. B. et al., Gaussian 94 Revision B. 3, Gaussian Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94 Revision B
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
13
-
-
0346087884
-
-: A model anion of an organosulphur-coordinated lanthanide complex
-
-: A model anion of an organosulphur-coordinated lanthanide complex, Acta Phys-Chim. Sinica, 1992, 8: 10.
-
(1992)
Acta Phys-Chim. Sinica
, vol.8
, pp. 10
-
-
Li, L.1
-
15
-
-
84873055189
-
-
New York: Wiley
-
Hehre, W., Radom, L., Schleyer, P. v R. et al., Ab initio Molecular Orbital Theory, New York: Wiley, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.1
Radom, L.2
Schleyer, P.V.R.3
-
16
-
-
0042906572
-
Hyperconjugation from infrared intensities: The case of methyl acetate and of its selectively dueterated derivatives
-
Hernandez, V., Castiglioni, C., Zerbi, G., Hyperconjugation from infrared intensities: the case of methyl acetate and of its selectively dueterated derivatives, J. Mol. Struct., 1994, 324: 189.
-
(1994)
J. Mol. Struct.
, vol.324
, pp. 189
-
-
Hernandez, V.1
Castiglioni, C.2
Zerbi, G.3
-
17
-
-
0010782243
-
The heats of reaction of pyridine and nitrobenzene with boron trifluoride, trichloride and tribromide: The relative acceptor properties of the boron halides
-
Brown, H. C., Holmes, R. R., The heats of reaction of pyridine and nitrobenzene with boron trifluoride, trichloride and tribromide: the relative acceptor properties of the boron halides, J. Am. Chem. Soc., 1956, 78: 2173.
-
(1956)
J. Am. Chem. Soc.
, vol.78
, pp. 2173
-
-
Brown, H.C.1
Holmes, R.R.2
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