Works about DELOCALIZATION energy


Results: 408
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    Resolving Atomic‐Scale Defects in Conjugated Polymers On‐Surfaces.

    Published in:
    Chemistry - A European Journal, 2022, v. 28, n. 48, p. 1, doi. 10.1002/chem.202200944
    By:
    • Mallada, Benjamín;
    • Chen, Qifan;
    • Chutora, Taras;
    • Sánchez‐Grande, Ana;
    • Cirera, Borja;
    • Santos, José;
    • Martín, Nazario;
    • Ecija, David;
    • Jelínek, Pavel;
    • de la Torre, Bruno
    Publication type:
    Article
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    A valence bond perspective of the reaction force formalism.

    Published in:
    Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 1, p. 1, doi. 10.1007/s00214-019-2538-7
    By:
    • Rincon, Luis;
    • Torres, F. Javier;
    • Mora, Jose R.;
    • Zambrano, Cesar H.;
    • Rodriguez, Vladimir
    Publication type:
    Article
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    吲哚咔唑类异构体芳香性的研究.

    Published in:
    Journal of Molecular Science, 2023, v. 39, n. 4, p. 318, doi. 10.13563/j.cnki.jmolsci.2022.11.003
    By:
    • 艾合买提·沙塔尔;
    • 阿布力克木·克热木
    Publication type:
    Article
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    Double aromaticity arising from σ- and π-rings.

    Published in:
    Communications Chemistry, 2018, v. 1, n. 1, p. N.PAG, doi. 10.1038/s42004-018-0057-4
    By:
    • Furukawa, Shunsuke;
    • Fujita, Masahiro;
    • Kanatomi, Yoshihiko;
    • Minoura, Mao;
    • Hatanaka, Miho;
    • Morokuma, Keiji;
    • Ishimura, Kazuya;
    • Saito, Masaichi
    Publication type:
    Article
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    Soft dipole resonance in neutron-rich 8He.

    Published in:
    Progress of Theoretical & Experimental Physics: PTEP, 2022, v. 2022, n. 10, p. 1, doi. 10.1093/ptep/ptac130
    By:
    • Myo, Takayuki;
    • Odsuren, Myagmarjav;
    • Katō, Kiyoshi
    Publication type:
    Article
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    Molecular polarizabilities of some energetic compounds.

    Published in:
    Journal of Molecular Modeling, 2021, v. 27, n. 2, p. 1, doi. 10.1007/s00894-020-04540-z
    By:
    • Tan, Bisheng;
    • Chai, Chuanguo;
    • Tan, Kaiyuan;
    • Fan, Guijuan;
    • Han, Yong;
    • Li, Ming;
    • Li, Jingming;
    • Huang, Hui;
    • Long, Xinping
    Publication type:
    Article
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    Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment

    Published in:
    Journal of Molecular Modeling, 2019, v. 25, n. 8, p. N.PAG, doi. 10.1007/s00894-019-4105-5
    By:
    • Hachim, Mouhi Eddine;
    • Sadik, Karima;
    • Byadi, Said;
    • Van Alsenoy, Christian;
    • Aboulmouhajir, Aziz
    Publication type:
    Article