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1
Theoretical study on phthalocyanine, pyrazinoporphyrazine and their complexation with Mg2+ and Zn2
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Theoretical study on phthalocyanine, pyrazinoporphyrazine and their complexation with Mg2+ and Zn2

Lee, A. ; Kim, D. ; Choi, S.-H. ; Park, J.-W. ; Jaung, J.-Y. ; Jung, D.H.

Molecular simulation, 1901-01, Vol.36 (3), p.192-198 [Periódico revisado por pares]

Taylor & Francis Group

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2
Theory and calculations of X-ray spectra: XAS, XES, XRS, and NRIXS
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Theory and calculations of X-ray spectra: XAS, XES, XRS, and NRIXS

Rehr, J.J.

Radiation physics and chemistry (Oxford, England : 1993), 2006-11, Vol.75 (11), p.1547-1558 [Periódico revisado por pares]

Elsevier Ltd

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3
Spectroscopic and theoretical investigation of capillary-induced keto-enol tautomerism of phenacyl benzoylpyridinium-type photoinitiators
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Spectroscopic and theoretical investigation of capillary-induced keto-enol tautomerism of phenacyl benzoylpyridinium-type photoinitiators

Yonet, Nihan ; Bicak, Niyazi ; Yurtsever, Mine ; Yagci, Yusuf

Polymer international, 2007-04, Vol.56 (4), p.525-531 [Periódico revisado por pares]

Chichester, UK: John Wiley & Sons, Ltd

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4
What Silicon Nanocluster is Most Likely Formed in Etching Experiments? Theoretical DFT Study
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What Silicon Nanocluster is Most Likely Formed in Etching Experiments? Theoretical DFT Study

Zhanpeisov, Nurbosyn U. ; Fukumura, Hiroshi

Journal of nanoscience and nanotechnology, 2008-07, Vol.8 (7), p.3478-3482

United States: American Scientific Publishers

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5
Deposition dynamics of Na monomers and dimers on an Ar(0 0 1) substrate
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Deposition dynamics of Na monomers and dimers on an Ar(0 0 1) substrate

Dinh, P.M. ; Fehrer, F. ; Reinhard, P.-G. ; Suraud, E.

Surface science, 2008-08, Vol.602 (15), p.2699-2705 [Periódico revisado por pares]

Lausanne: Elsevier B.V

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6
TD-DFT Studies on Hematoporphyrin and Its Dimers
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TD-DFT Studies on Hematoporphyrin and Its Dimers

Suvitha, A. ; Belosludov, R. V. ; Mizuseki, H. ; Kawazoe, Y. ; Takeda, M. ; Kohno, M. ; Ohuchi, N.

MATERIALS TRANSACTIONS, 2008/11/01, Vol.49(11), pp.2416-2419 [Periódico revisado por pares]

Sendai: The Japan Institute of Metals and Materials

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7
Dipole excitations of Ar substrate in contact with Na clusters
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Dipole excitations of Ar substrate in contact with Na clusters

Dinh, P.M. ; Reinhard, P.-G. ; Suraud, E.

Surface science, 2009-01, Vol.603 (2), p.400-406 [Periódico revisado por pares]

Kidlington: Elsevier B.V

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8
Theoretical investigations on the carbazole-based conjugated polymers containing electron-donating divinylaryl
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Theoretical investigations on the carbazole-based conjugated polymers containing electron-donating divinylaryl

Liu, Liming ; Wang, Xueye ; Wang, Yanling ; Peng, Xinyu ; Mo, Yuexiang

Journal of polymer science. Part B, Polymer physics, 2009-04, Vol.47 (7), p.706-714 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

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9
Simulated Ultra-Fast Phenomena in Photo-Excited Carbon Nanotube
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Simulated Ultra-Fast Phenomena in Photo-Excited Carbon Nanotube

Miyamoto, Yoshiyuki

Journal of nanoscience and nanotechnology, 2010-06, Vol.10 (6), p.3759-3766

United States: American Scientific Publishers

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10
A Time-Dependent Density Functional Theory Study on the Absorption Spectra of Cun Clusters
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A Time-Dependent Density Functional Theory Study on the Absorption Spectra of Cun Clusters

Zhou, Yuhong ; Zeng, Zhi

Journal of nanoscience and nanotechnology, 2010-08, Vol.10 (8), p.5404-5407

American Scientific Publishers

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