Chemistry Reference
In-Depth Information
129. L. Jensen, M. Swart, P. T. van Duijnen, and J. Autschbach, Int. J. Quantum Chem. , 106 , 2479
(2006). Circular Dichroism Spectrum of [Co(en) 3 ] 3รพ in Water: A Discrete Solvent Reaction
Field Study.
130. P. J. Stephens, D. M. McCann, E. Butkus, S. Stoncius, J. R. Cheeseman, and M. J. Frisch, J.
Org. Chem. , 69 , 1948 (2004). Determination of Absolute Configuration Using Concerted Ab
Initio DFT Calculations of Electronic Circular Dichroism and Optical Rotation: Bicyclo
[3.3.1] nonanediones.
131. M. Seth, T. Ziegler, A. Banerjee, J. Autschbach, S. J. A. van Gisbergen, and E. J. Baerends, J.
Chem. Phys. , 120 , 10942 (2004). Calculation of the A Term of Magnetic Circular Dichroism
Based on Time Dependent-Density Functional Theory I. Formulation and Implementation.
132. N. N. Lathiotakis, N. Helbig, and E. K. U. Gross, Phys. Rev. A , 72 , 030501 (2005). Open
Shells in Reduced-Density-Matrix-Functional Theory.
133. M. Watanabe, H. Suzuki, Y. Tanaka, T. Ishida, T. Oshikawa, and A. Tori-i, J. Org. Chem. , 69 ,
7794 (2004). One-Pot Synthesis of Helical Aromatics: Stereoselectivity, Stability Against
Racemization, and Assignment of Absolute Configuration Assisted by Experimental and
Theoretical Circular Dichroism.
134. G. Marconi, S. Monti, F. Manoli, A. D. Esposti, and A. Guerrini, Helv. Chim. Acta , 87 , 2368
(2004). Circular-Dichroism Studies on Artemisinin and Epiartemisinin and Their Beta-
cyclodextrin Complexes in Solution.
135. K. Watanabe, M. Araidai, and K. Tada, Thin Solid Films , 464-65 , 354 (2004). Field Emission
and Electronic Structures of Carbon Allotropes.
136. G. Gurtubay, W. Ku, J. M. Pitarke, and A. G. Eguiluz, Comput. Mater. Sci. , 30 , 104 (2004).
Effects of the Crystal Structure in the Dynamical Electron Density-Response of hcp Transi-
tion Metals.
137. K. Hirose, Y. Meir, and N. S. Wingreen, Physica E , 22 486 (2004). Time-Dependent Density
Functional Theory of Excitation Energies of Closed-Shell Quantum Dots.
138. S. Botti, F. Sottile, N. Vast, V. Olevano, L. Reining, H. C. Weissker, A. Rubio, G. Onida, R.
Del Sole, and R. W. Godby, Phys. Rev. B , 69 , 155112 (2004). Long-Range Contribution to
the Exchange-Correlation Kernel of Time-Dependent Density Functional Theory.
139. B. Insuasty, C. Atienza, C. Seoane, N. Martin, J. Garin, J. Orduna, R. Alcala, and B.
Villacampa, J. Org. Chem. , 69 , 6986 (2004). Electronic and Structural Effects on the
Nonlinear Optical Behavior in Push-Pull TTF/Tricarbonyl Chromiun Arene Complexes.
140. F. F. Jian and P. S. Zhao, J. Mol. Struct. , 705 , 133 (2004). Experimental and Ab Initio
Calculational Studies on 2,3-Diketo-benzopiperazine.
141. N. Kobko, A. Masunov, and S. Tretiak, Chem. Phys. Lett. , 392 , 444 (2004). Calculations of
the Third-Order Nonlinear Optical Responses in Push-Pull Chromophores with a Time-
Dependent Density Functional Theory.
142. A. M. Masunov and S. Tretiak, J. Phys. Chem. B , 108 , 899 (2004). Prediction of Two-
Photon Absorption Properties for Organic Chromophores Using Time-Dependent Density-
Functional Theory.
143. W. Guan, G. C. Yang, L. K. Yan, and Z. M. Su, Inorg. Chem. , 45 , 7864 (2006). Prediction of
Second-Order Optical Nonlinearity of Trisorganotin-Substituted beta-Keggin Polyoxotung-
state.
144. G. C. Yang, Z. M. Su, and C. S. Qin, J. Phys. Chem. A , 110 , 4817 (2006). Theoretical Study on
the Second-Order Nonlinear Optical Properties of Asymmetric Spirosilabifluorene Deriva-
tives.
145. M. Makowska-Janusik, S. Tkaczyk, and I. V. Kityk, J. Phys. Chem. B , 110 , 6492 (2006).
Origin of the Photoinduced Optical Second Harmonic Generation Arising in N -Phenyl
Microcrystalline Films.
146. P. N. Day, K. A. Nguyen, and R. Pachter, J. Chem. Phys. , 125 , 094103 (2006). Calculation of
Two-Photon Absorption Spectra of Donor-pi-Acceptor Compounds in Solution Using
Quadratic Response Time-Dependent Density Functional Theory.
Search WWH ::




Custom Search