-
1
-
-
0141919820
-
-
Nelsen, S. F.; Konradsson, A. E.; Weaver, M. N.; Telo, J. P. J. Am. Chem. Soc. 2003, 125, 12493-12501.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 12493-12501
-
-
Nelsen, S.F.1
Konradsson, A.E.2
Weaver, M.N.3
Telo, J.P.4
-
7
-
-
33444463739
-
-
note
-
12.
-
-
-
-
9
-
-
0001962834
-
-
Lund, A.; Shiotani, M., Eds.; Kluwer: Dortrecht
-
(a) Bally, T. In Radical Ionic Systems; Lund, A.; Shiotani, M., Eds.; Kluwer: Dortrecht, 1991; p 3.
-
(1991)
Radical Ionic Systems
, pp. 3
-
-
Bally, T.1
-
12
-
-
12444303269
-
-
(b) Buschow, K. J. J.; Dieleman, J.; Hoijtink, G. J. Mol. Phys. 1963-1964, 7, 1.
-
(1963)
J. Mol. Phys.
, vol.7
, pp. 1
-
-
Buschow, K.J.J.1
Dieleman, J.2
Hoijtink, G.3
-
13
-
-
0002619152
-
A guided tour of time-dependent density functional theory
-
Joubert, D., Ed.; Springer: Berlin
-
(a) Burke, K.; Gross, E. K. U. A Guided Tour of Time-Dependent Density Functional Theory. In Density Functionals: Theory and Applications; Joubert, D., Ed.; Springer: Berlin, 1998; pp 116-146.
-
(1998)
Density Functionals: Theory and Applications
, pp. 116-146
-
-
Burke, K.1
Gross, E.K.U.2
-
14
-
-
0000287603
-
-
(b) Casida, M. E.; Jamorski, C.; Casida, K. C.; Salhub, D. R. J. Chem. Phys. 1998, 108, 4439-4449.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4439-4449
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salhub, D.R.4
-
15
-
-
0032533083
-
-
(c) Stratmann, R. E.; Scuseria, G. E.; Frisch, M. J. J. Chem. Phys. Chem. 1998, 109, 8218-8224.
-
(1998)
J. Chem. Phys. Chem.
, vol.109
, pp. 8218-8224
-
-
Stratmann, R.E.1
Scuseria, G.E.2
Frisch, M.J.3
-
16
-
-
0000690590
-
-
(a) Nelsen, S. F.; Blackstock, S. C.; Yumibe, N. P.; Frigo, T. B.; Carpenter, J. E.; Weinhold, F. J. Am. Chem. Soc. 1985, 107, 143-149.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 143-149
-
-
Nelsen, S.F.1
Blackstock, S.C.2
Yumibe, N.P.3
Frigo, T.B.4
Carpenter, J.E.5
Weinhold, F.6
-
17
-
-
0001677631
-
-
(b) Clark, T.; Teasley, M. F.; Nelsen, S. F.; Wynberg, H. J. Am. Chem. Soc. 1987, 109, 5719-5724.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 5719-5724
-
-
Clark, T.1
Teasley, M.F.2
Nelsen, S.F.3
Wynberg, H.4
-
19
-
-
0032554106
-
-
Nelsen, S. F.; Tran, H. Q.; Nagy, M. A. J. Am. Chem. Soc. 1998, 120, 298-304.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 298-304
-
-
Nelsen, S.F.1
Tran, H.Q.2
Nagy, M.A.3
-
20
-
-
12444280056
-
-
to be published
-
Nelsen, S. F.; Luo, Y.; Weaver, M. N.; Zink, J. I. "Beyond the Two-State model: Optical Spectra of Protected Diamine Intervalence Radical Cations Related to N,N,N′,N′-Tetraalkylbenzidine", to be published.
-
Beyond the Two-State Model: Optical Spectra of Protected Diamine Intervalence Radical Cations Related to N,N,N′,N′- Tetraalkylbenzidine
-
-
Nelsen, S.F.1
Luo, Y.2
Weaver, M.N.3
Zink, J.I.4
-
21
-
-
33444456282
-
-
note
-
It is worth noting here that Koopmans-based HF calculations, despite having better geometries, are not nearly as useful for predicting optical spectra as AMI calculations, presumably because they lack any electron correlation.
-
-
-
-
22
-
-
12444310190
-
-
Nelsen, S. F.; Konradsson, A. E.; Telo, J. J. Am. Chem. Soc 2005, 127, 920-925.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 920-925
-
-
Nelsen, S.F.1
Konradsson, A.E.2
Telo, J.3
-
23
-
-
0003915529
-
-
Theoretical Chemistry Institute, University of Wisconsin: Madison, WI
-
Glendening, J. K.; Badenhoop, A. E.; Reed, J. E.; Carpenter, J. A.; Bohmann; Morales, C. M.; Weinhold, F. NBO 5.0. E. D. Theoretical Chemistry Institute, University of Wisconsin: Madison, WI, 2001.
-
(2001)
NBO 5.0. E. D.
-
-
Glendening, J.K.1
Badenhoop, A.E.2
Reed, J.E.3
Carpenter, J.A.4
Bohmann5
Morales, C.M.6
Weinhold, F.7
-
24
-
-
33444462865
-
-
note
-
2.
-
-
-
-
25
-
-
9644276653
-
-
Nelsen, S. F.; Weaver, M. N.; Konradsson, A. E.; Telo, J. P.; Clark, T. J. Am. Chem. Soc. 2004, 126, 15431-15438.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 15431-15438
-
-
Nelsen, S.F.1
Weaver, M.N.2
Konradsson, A.E.3
Telo, J.P.4
Clark, T.5
-
26
-
-
0030671417
-
-
Nelsen, S. F.; Ismagilov, R. F.; Trieber, D. A., II. Science 1997, 278, 846-849.
-
(1997)
Science
, vol.278
, pp. 846-849
-
-
Nelsen, S.F.1
Ismagilov, R.F.2
Trieber II, D.A.3
-
28
-
-
14544303159
-
-
Lockard, J. V.; Zink, J. I.; Trieber, D. A., II; Konradsson, A. E.; Weaver, M. N.; Nelsen, S. F. J. Phys. Chem. A 2005, 109, 1205-1215.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 1205-1215
-
-
Lockard, J.V.1
Zink, J.I.2
Trieber II, D.A.3
Konradsson, A.E.4
Weaver, M.N.5
Nelsen, S.F.6
-
30
-
-
38549170136
-
-
(b) Creutz, C.; Newton, M. D.; Sutin, N. J. Photochem. Photobiol. A 1994, 82, 47-59.
-
(1994)
J. Photochem. Photobiol. A
, vol.82
, pp. 47-59
-
-
Creutz, C.1
Newton, M.D.2
Sutin, N.3
-
31
-
-
33444455419
-
-
Proper derivations for these equations will appear in a future paper, Nelsen, S. F.; Luo, Y.; Weaver, M. N.; Lockard, J. V.; Zink, J. I. Use of the neighboring orbital model for analysis of electronic coupling in Class III intervalence compounds.
-
Use of the Neighboring Orbital Model for Analysis of Electronic Coupling in Class III Intervalence Compounds
-
-
Nelsen, S.F.1
Luo, Y.2
Weaver, M.N.3
Lockard, J.V.4
Zink, J.I.5
|