Chemistry Reference
In-Depth Information
90. D. Rappoport and F. Furche,
J. Am. Chem. Soc.
,
126
, 1277 (2004). Photoinduced Intramo-
lecular Charge Transfer in 4-(Dimethyl)aminobenzonitrile—A Theoretical Perspective.
91. D. J. Tozer,
J. Chem. Phys.
,
119
, 12697 (2003). Relationship between Long-Range Charge-
Transfer Excitation Energy Error and Integer Discontinuity in Kohn-Sham Theory.
92. C. J. Jamorski and H. P. Luthi,
J. Chem. Phys.
,
119
, 12852 (2003). Rational Classification of a
Series of Aromatic Donor-Acceptor Systems within the Twisting Intramolecular Charge
Transfer Model, a Time-Dependent Density-Functional Theory Investigation.
93. L. E. Roy and T. Hughbanks,
Inorg. Chem.
,
45
, 8273 (2006). Electronic Transitions in
½
4
(X
Cl, Br, I): Results from Time-Dependent Density Functional Theory and
Solid-State Calculations.
94. J. C. Idrobo, S. Ogut, and J. Jellinek,
Phys. Rev. B
,
72
, 085445 (2005). Size Dependence of the
Static Polarizabilities and Absorption Spectra of Ag
n
Re
6
S
8
X
6
¼
Clusters.
95. L. Jensen, J. Autschbach, and G. C. Schatz,
J. Chem. Phys.
,
122
, 224115 (2005). Finite
Lifetime Effects on the Polarizability within Time-Dependent Density-Functional Theory.
96. S. S. M. C. Godinho, P. C. do Couto, and B. J. C. Cabral,
J. Chem. Phys.
,
122
, 044316 (2005).
Polarization Effects and Charge Separation in AgCl-Water Clusters.
97. M. Stener, G. Fronzoni, and R. De Francesco,
Chem. Phys.
,
309
, 49 (2005). Core Excitations
in MgO: A DFT Study with Cluster Models.
98. G. F. Zhao, Y. Lei, and Z. Zeng,
Chem. Phys.
,
327
, 261 (2006). Absorption Spectra of Small
Silver Clusters Ag
n
(
n
¼ 4, 6, 8): A TDDFT Study.
99. M. L. del Puerto, M. L. Tiago, and J. R. Chelikowsky,
Phys. Rev. Lett.
,
97
, 096401 (2006).
Excitonic Effects and Optical Properties of Passivated CdSe Clusters.
100. O. Lehtonen and D. Sundholm,
Phys. Rev. B
,
74
, 045433 (2006). Optical Properties of
Silaadamantane Nanoclusters from Density-Functional Theory.
101. Y. Z. Lan, W. D. Cheng, D. S. Wu, J. Shen, S. P. Huang, H. Zhang, Y. J. Gong, and F. F. Li,
J.
Chem. Phys.
,
124
, 094302 (2006). A Theoretical Investigation of Hyperpolarizability for
Small Ga
n
As
m
ð
ð
¼
2
8
Þ
n
Clusters.
102. S. S. M. C. Godinho, P. C. do Couto, and B. J. C. Cabral,
Chem. Phys. Lett.
,
419
, 340 (2006).
Photochemistry of AgCl-Water Clusters: Comparison with Cl
-Water Clusters.
103. N. A. Besley and A. J. Blundy,
J. Phys. Chem. B
,
110
, 1701 (2006). Electronic Excited States of
Si(100) and Organic Molecules Adsorbed on Si(100).
104. E. Broclawik, A. Gora, P. Liguzinski, P. Petelenz, and H. A. Witek,
J. Chem. Phys.
,
124
,
054709 (2006). QuantumChemical Modeling of Electrochromism of TungstenOxide Films.
105. G. Durand, M. C. Heitz, F. Spiegelman, C. Meier, R. Mitric, V. Bonacic-Koutecky, and J.
Pittner,
J. Chem. Phys.
,
121
, 9898 (2004). Different Approaches for the Calculation of
Electronic Excited States of Nonstoichiometric Alkali Halide Clusters: The Example of
Na
3
F.
106. B. Gervais, E. Giglio, E. Jacquet, A. Ipatov, P. G. Reinhard, and E. Suraud,
J. Chem. Phys.
,
121
, 8466 (2004). Simple DFT Model of Clusters Embedded in Rare Gas Matrix: Trapping
Sites and Spectroscopic Properties of Na Embedded in Ar.
107. R. Baer and N. Siam,
J. Chem. Phys.
,
121
, 6341 (2004). Real-Time Study of the Adiabatic
Energy Loss in an Atomic Collision with a Metal Cluster.
108. A. Pohl, P. G. Reinhard, and E. Suraud,
Phys. Rev. A
,
70
, 023202 (2004). Angular Distribution
of Electrons Emitted from Na Clusters.
109. R. Rao, J. Sutin, R. Clegg, E. Gratton, M. H. Nayfeh, S. Habbal, A. Tsolakidis, and R. M.
Martin,
Phys. Rev. B
,
69
, 205319 (2004). Excited States of Tetrahedral Single-Core Si
29
Nanoparticles.
110. F. Della Sala, R. Rousseau, A. G ¨ rling, and D. Marx,
Phys. Rev. Lett.
,
92
, 183401 (2004).
Quantum and Thermal Fluctuation Effects on the Photoabsorption Spectra of Clusters.
111. R. Baer, D. Neuhauser, and S. Weiss,
Nano Lett.
,
4
, 85 (2004). Enhanced Absorption Induced
by a Metallic Nanoshell.
n
þ
m
¼
4
10
Þ
