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  1. 161
    Cálculos usando métodos de estrutura eletrônica na obtenção de parâmetros cinéticos e termoquímicos
    Subjects: “...Theoretical calculations...”
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  2. 162
    Ülkü Dilek UYSAL, Halil BERBER1,Elif Mine ÖNCÜ-KAYA1
    Subjects: “...Catechins; polyphenol; tea; theoretical calculation; PM6; Marvinbeans; Sparc...”
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    Article
  3. 163
    Colorimetric chemosensor of symmetrical benzoylthiourea derivatives as for detection of Cu2+ in aqueous solution
    Subjects: “...Theoretical calculations...”
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  4. 164
    Synthesis, Structural Characterization, and Biological Activity of New Pyrazolo[4,3-<i>e</i>][1,2,4]triazine Acyclonucleosides
    Subjects: “...theoretical calculation...”
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  5. 165
    Estudos conformacionais de lactonas sesquiterpênicas e compostos relacionados
    by Alvaro Cunha Neto
    Published 2006
    Subjects: “... theoretical calculation ...”
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  6. 166
    Estudo dos mecanismos de transmissão dos acoplamentos escalares via ligação e/ou via nuvem eletrônica próxima no espaço e estudos de difusão (DOSY) de 19F
    by Favaro, Denize Cristina, 1987-
    Published 2014
    Subjects: “...Theoretical calculation...”
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  7. 167
    Elaboration de molécules pi-conjuguées à base de triphénylamine pour la réalisation de dispositifs photovoltaïques hybrides sensibilisés.
    by Metri, Noura
    Published 2011
    Subjects: “...Theoretical calculations (B3LYP-M05-2X)...”
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  8. 168
    種々の電子状態評価技法の比較 : ELNESに基づく化学結合性の議論
    Subjects: “...first principle theoretical calculation...”
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  9. 169
    Liquid-Crystalline Dispersions of Double-Stranded DNA
    Subjects: “...theoretically calculated and experimental circular dichroism spectra...”
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  10. 170
    Contrôle de l'organisation moléculaire en 2D et 3D par l’utilisation de liaisons hydrogène, de coordination métallique et d'autres interactions
    by Duong, Adam
    Published 2011
    Subjects: “...theoretical calculations...”
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  11. 171
    Contrôle de l'organisation moléculaire en 2D et 3D par l’utilisation de liaisons hydrogène, de coordination métallique et d'autres interactions
    by Duong, Adam
    Published 2011
    Subjects: “...theoretical calculations...”
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  12. 172
    First-principles studies for electronic structure and optical properties of strontium doped β-ga2o3
    Subjects: “...Theoretical calculations...”
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  13. 173
    ESTUDO CONFORMACIONAL DE DERIVADOS DO ÁCIDO FENILACÉTICO EMPREGANDO CÁLCULOS TEÓRICOS E AS ESPECTROSCOPIAS DE RESSONÂNCIA MAGNÉTICA NUCLEAR E INFRAVERMELHO
    by Levandowski, Mariana Negrelli
    Published 2017
    Subjects: “...theoretical calculation...”
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  14. 174
    Analysis and calculation method of critical voltage of DC commutation process considering AC system single-phase fault moments
    by Jingqiu Zhang, Yongli Li, Xiaolong Chen
    Published 2019-04-01
    Subjects: “...theoretical calculation results...”
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    Article
  15. 175
    Surface Engineering of C/N/O Functionalized Materials
    Published 2021
    Subjects: “...theoretical calculations...”
    Open Access: DOAB: description of the publication
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  16. 176
    Hydrogen Bonds
    Published 2023
    Subjects: “...theoretical calculations...”
    Open Access: DOAB: description of the publication
    Open Access: DOAB, download the publication
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  17. 177
    Hydrogen Bonds
    Published 2023
    Subjects: “...theoretical calculations...”
    Open Access: DOAB: description of the publication
    Open Access: DOAB, download the publication
    eBook
  18. 178
    Advances in Cholesteric Liquid Crystals
    Published 2020
    Subjects: “...theoretically calculated and experimental circular dichroism spectra...”
    Open Access: DOAB: description of the publication
    Open Access: DOAB, download the publication
    eBook
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