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Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field

Seonah, Kim; Orendt, Anita M.; Ferraro, Marta Beatriz; Facelli, Julio C. (John Wiley & Sons Inc, 2009-10)

This article describes the application of our distributed computing framework for crystal structure prediction (CSP) the modified genetic algorithms for crystal and cluster prediction (MGAC), to predict the crystal structure ...

Study of Co2+ in different crystal field environments

Foglio, M. E.; Barberis, G. E. (Sociedade Brasileira de Física, 2006)

Electronic spectra of some Ni2+ octahedral complexes: A practical introduction to the crystal field theory in the undergraduate course.

Gushikem, Y (Soc Brasileira QuimicaSao PauloBrasil, 2005)

Mean-field study of the degenerate blume-emery-griffiths model in a random crystal field

BRANCO, N.S.; BACHMANN, LUCIANO (1998)

The crystal field strength parameter and the maximum splitting of the 7F1 manifold of the Eu3+ ion in oxides

Universidade Estadual Paulista (Unesp); UPR 209 du CNRS; Institut de Chimie Minérale et Analytique; Ecole Normale Supérieure de Takaddoum (Elsevier B.V., 1995-09-15)

We examine, from both the experimental and theoretical point of view, the behavior of the maximum splitting ΔE, of the 7F1 manifold of the Eu3+ ion as a function of the so-called crystal field strength parameter, Nv, in a ...

Electrical tuning of refraction in a two-dimensional photonic crystal infilled with a liquid crystalElectrical tuning of refraction in a two-dimensional photonic crystal infilled with a liquid crystal

Halevi, P.; Reyes Avendaño, J. A. (Revista Mexicana de Física, 2009)

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Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field

Study of Co2+ in different crystal field environments

Electronic spectra of some Ni2+ octahedral complexes: A practical introduction to the crystal field theory in the undergraduate course.

Mean-field study of the degenerate blume-emery-griffiths model in a random crystal field

The crystal field strength parameter and the maximum splitting of the 7F1 manifold of the Eu3+ ion in oxides

Electrical tuning of refraction in a two-dimensional photonic crystal infilled with a liquid crystalElectrical tuning of refraction in a two-dimensional photonic crystal infilled with a liquid crystal

Emergent Geometry of Inhomogeneous Planar Crystals

Efeitos de superf??cie e campo magn??tico em cristal l??quido liotr??pico nem??tico tipo II

Fluoride bulk crystals growthReference Module in Materials Science and Materials Engineering

Theory for polaritons in graphene photonic crystals in an applied magnetic field

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Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field

Study of Co2+ in different crystal field environments

Electronic spectra of some Ni2+ octahedral complexes: A practical introduction to the crystal field theory in the undergraduate course.

Mean-field study of the degenerate blume-emery-griffiths model in a random crystal field

The crystal field strength parameter and the maximum splitting of the 7F1 manifold of the Eu3+ ion in oxides

Electrical tuning of refraction in a two-dimensional photonic crystal infilled with a liquid crystalElectrical tuning of refraction in a two-dimensional photonic crystal infilled with a liquid crystal

Emergent Geometry of Inhomogeneous Planar Crystals

Efeitos de superf??cie e campo magn??tico em cristal l??quido liotr??pico nem??tico tipo II

Fluoride bulk crystals growthReference Module in Materials Science and Materials Engineering

Theory for polaritons in graphene photonic crystals in an applied magnetic field