-
3
-
-
17044377101
-
Calculation of Ground and Excited State Potential Surfaces of Conjugated Molecules. Formulation and Parametrization
-
A. Warshel M. Karplus Calculation of Ground and Excited State Potential Surfaces of Conjugated Molecules. Formulation and Parametrization J. Am. Chem. Soc. 1972 94 5612.
-
(1972)
J. Am. Chem. Soc.
, vol.94
, pp. 5612
-
-
Warshel, A.1
Karplus, M.2
-
4
-
-
36849107750
-
Use of the CNDO Method in Spectroscopy, I. Benzene, Pyridine and the Diazines
-
J. Del Bene H. H. Jaffe’ Use of the CNDO Method in Spectroscopy, I. Benzene, Pyridine and the Diazines J. Chem. Phys. 1968 48 4050.
-
(1968)
J. Chem. Phys.
, vol.48
, pp. 4050
-
-
Del Bene, J.1
Jaffe’, H.H.2
-
9
-
-
34250872670
-
n, with n = 24, 28, 32, 36, 50, 60 and 70
-
n, with n = 24, 28, 32, 36, 50, 60 and 70 Nature 1987 329 529.
-
(1987)
Nature
, vol.329
, pp. 529
-
-
Kroto, H.W.1
-
15
-
-
0343050395
-
60– Experiment and theory
-
60– Experiment and theory Phys. Rev. Lett. 1991 66 1741.
-
(1991)
Phys. Rev. Lett.
, vol.66
, pp. 1741
-
-
Weaver, J.H.1
Martins, J.L.2
Komeda, T.3
Chen, Y.4
Ohno, T.R.5
Kroll, G.H.6
Troullier, N.7
Haufler, R.8
Smalley, R.E.9
-
17
-
-
0002748721
-
Quantum-chemical investigation of Franck–Condon, Jahn–Teller activity in the electronic spectra of Buckminsterfullerene
-
F. Negri G. Orlandi F. Zerbetto Quantum-chemical investigation of Franck–Condon, Jahn–Teller activity in the electronic spectra of Buckminsterfullerene Chem. Phys. Lett. 1988 144 31.
-
(1988)
Chem. Phys. Lett.
, vol.144
, pp. 31
-
-
Negri, F.1
Orlandi, G.2
Zerbetto, F.3
-
22
-
-
0032572120
-
Experiment versus Time Dependent Density Functional Theory Prediction of Fullerene Electronic Absorption
-
R. Bauernschmitt R. Ahlrichs F. H. Hennrich M. M. Kappes Experiment versus Time Dependent Density Functional Theory Prediction of Fullerene Electronic Absorption J. Am. Chem. Soc. 1998 120 5052.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 5052
-
-
Bauernschmitt, R.1
Ahlrichs, R.2
Hennrich, F.H.3
Kappes, M.M.4
-
25
-
-
0000852275
-
60
-
60 Chem. Phys. 1992 160 451.
-
(1992)
Chem. Phys.
, vol.160
, pp. 451
-
-
Leach, S.1
Vervloet, M.2
Desprès, A.3
Breheret, E.4
Hare, J.P.5
Dennis, T.J.6
Kroto, H.W.7
Taylor, R.8
Walton, D.R.M.9
-
26
-
-
0001327087
-
60 from the far infrared to the far vacuum UV, studied by high resolution Electron Energy Loss Spectroscopy
-
60 from the far infrared to the far vacuum UV, studied by high resolution Electron Energy Loss Spectroscopy Phys. Rev. 1992 45 13694.
-
(1992)
Phys. Rev.
, vol.45
, pp. 13694
-
-
Lucas, A.A.1
Gesterblum, G.2
Pireaux, J.J.3
Thiry, P.A.4
Caudano, R.5
Vigneron, J.P.6
Lambin, P.H.7
-
36
-
-
0001469513
-
The vibrational frequencies of fullerenes from an updated QCFF/PI hamiltonian
-
F. Negri G. Orlandi The vibrational frequencies of fullerenes from an updated QCFF/PI hamiltonian J. Phys. B: At., Mol. Opt. Phys. 1996 29 5049.
-
(1996)
J. Phys. B: At., Mol. Opt. Phys.
, vol.29
, pp. 5049
-
-
Negri, F.1
Orlandi, G.2
-
38
-
-
0042706002
-
Photophysical properties of fullerenes and fullerene/N, N-diethylaniline charge transfer complexes
-
Y. Wang Photophysical properties of fullerenes and fullerene/N, N-diethylaniline charge transfer complexes J. Phys. Chem. 1992 96 764.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 764
-
-
Wang, Y.1
-
44
-
-
17444432903
-
60 in cryogenic matrices
-
60 in cryogenic matrices Low Temp. Phys. 2000 26 632.
-
(2000)
Low Temp. Phys.
, vol.26
, pp. 632
-
-
Chergui, M.1
-
46
-
-
33751500201
-
60
-
60 J. Phys. Chem. 1991 95 11.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 11
-
-
Arbogast, J.W.1
Darmanyan, A.P.2
Foote, C.S.3
Rubin, Y.4
Diederich, F.5
Alvarez, M.M.6
Anz, S.J.7
Whetten, R.L.8
-
47
-
-
0000037583
-
60 triplet and anion radical, and one-electron reduction of the triplet by aromatic donors
-
60 triplet and anion radical, and one-electron reduction of the triplet by aromatic donors Chem. Phys. Lett. 1992 195 339.
-
(1992)
Chem. Phys. Lett.
, vol.195
, pp. 339
-
-
Biczok, L.1
Linschitz, H.2
Walter, R.I.3
-
49
-
-
85034365339
-
-
personal communication
-
M. Chergui, personal communication.
-
-
-
Chergui, M.1
-
50
-
-
0033681440
-
Optical limiting and non linear optical properties of fullerene derivatives embedded in hybrid sol-gel glasses
-
R. Signorini M. Meneghetti R. Bozio M. Maggini G. Scorrano M. Prato G. Brusatin P. Innocenzi M. Guglielmi Optical limiting and non linear optical properties of fullerene derivatives embedded in hybrid sol-gel glasses Carbon 2000 38 1653.
-
(2000)
Carbon
, vol.38
, pp. 1653
-
-
Signorini, R.1
Meneghetti, M.2
Bozio, R.3
Maggini, M.4
Scorrano, G.5
Prato, M.6
Brusatin, G.7
Innocenzi, P.8
Guglielmi, M.9
-
51
-
-
0032842277
-
Synthesis and optical limiting behavior of hybrid inorganic-organic materials from the sol-gel processing of organofullerenes
-
M. Maggini C. De Faveri G. Scorrano M. Prato G. Brusatin M. Guglielmi R. Signorini M. Meneghetti R. Bozio Synthesis and optical limiting behavior of hybrid inorganic-organic materials from the sol-gel processing of organofullerenes Chem. Eur. J. 1999 5 2501.
-
(1999)
Chem. Eur. J.
, vol.5
, pp. 2501
-
-
Maggini, M.1
De Faveri, C.2
Scorrano, G.3
Prato, M.4
Brusatin, G.5
Guglielmi, M.6
Signorini, R.7
Meneghetti, M.8
Bozio, R.9
-
59
-
-
85034314174
-
-
PhD thesis, Leiden University
-
X. L. R. Dauw, PhD thesis, Leiden University, 2000.
-
(2000)
-
-
Dauw, X.L.R.1
-
60
-
-
21444438833
-
Electronic Spectroscopy of Polyatomic Molecules by Low-Energy, Variable-Angle Electron Impact
-
A. Kupperman W. M. Flicker O. A. Mosher Electronic Spectroscopy of Polyatomic Molecules by Low-Energy, Variable-Angle Electron Impact Chem. Rev. 1979 79 77.
-
(1979)
Chem. Rev.
, vol.79
, pp. 77
-
-
Kupperman, A.1
Flicker, W.M.2
Mosher, O.A.3
-
69
-
-
0031164411
-
High-resolution spectroscopy of matrix-isolated fullerene molecules
-
A. N. Starukhin B. S. Razbirin A. V. Chugreev D. K. Nelson Y. S. Grushko S. N. Kolesnik J. M. Hvam D. Birkedal K. Litvinenko C. Spiegelberg J. Zeman G. Martinez High-resolution spectroscopy of matrix-isolated fullerene molecules J. Lumin. 1997 72–74 457.
-
(1997)
J. Lumin.
, vol.7274
, pp. 457
-
-
Starukhin, A.N.1
Razbirin, B.S.2
Chugreev, A.V.3
Nelson, D.K.4
Grushko, Y.S.5
Kolesnik, S.N.6
Hvam, J.M.7
Birkedal, D.8
Litvinenko, K.9
Spiegelberg, C.10
Zeman, J.11
Martinez, G.12
-
72
-
-
0344358628
-
QCFF/PI vibrational frequencies of some spherical carbon clusters
-
F. Negri G. Orlandi F. Zerbetto QCFF/PI vibrational frequencies of some spherical carbon clusters J. Am. Chem. Soc. 1991 113 6037.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 6037
-
-
Negri, F.1
Orlandi, G.2
Zerbetto, F.3
-
75
-
-
0000708046
-
1 manifold in naphthalene: Theoretical simulation
-
1 manifold in naphthalene: Theoretical simulation J. Chem. Phys. 1996 104 3486.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 3486
-
-
Negri, F.1
Zgierski, M.Z.2
-
84
-
-
85034318462
-
-
personal communications
-
G. E. Scuseria, personal communications.
-
-
-
Scuseria, G.E.1
|