Search Results - Sauri, Vicenta

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  1. 1
    Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study

    Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study by Sauri, Vicenta, Serrano-Andrés, Luis, Shahi, Abdul Rehaman Moughal, Gagliardi, Laura, Vancoillie, Steven, Pierloot, Kristine

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  2. 2
    Proton/Hydrogen Transfer Mechanisms in the Guanine–Cytosine Base Pair: Photostability and Tautomerism

    Proton/Hydrogen Transfer Mechanisms in the Guanine–Cytosine Base Pair: Photostability and Tautomerism by Sauri, Vicenta, Gobbo, João P, Serrano-Pérez, Juan J, Lundberg, Marcus, Coto, Pedro B, Serrano-Andrés, Luis, Borin, Antonio C, Lindh, Roland, Merchán, Manuela, Roca-Sanjuán, Daniel

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  3. 3
    Tuning the Photophysical Properties of anti-B18H22: Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4′-(HS)2-anti-B18H20

    Tuning the Photophysical Properties of anti-B18H22: Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4′-(HS)2-anti-B18H20 by Saurí, Vicenta, Oliva, Josep M, Hnyk, Drahomír, Bould, Jonathan, Braborec, Jakub, Merchán, Manuela, Kubát, Pavel, Císařová, Ivana, Lang, Kamil, Londesborough, Michael G. S

    Published in Inorganic chemistry
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  4. 4
    On the Deactivation Mechanisms of Adenine–Thymine Base Pair

    On the Deactivation Mechanisms of Adenine–Thymine Base Pair by Gobbo, João Paulo, Saurí, Vicenta, Roca-Sanjuán, Daniel, Serrano-Andrés, Luis, Merchán, Manuela, Borin, Antonio Carlos

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  5. 5
    Distinct Photophysics of the Isomers of B18H22 Explained

    Distinct Photophysics of the Isomers of B18H22 Explained by Londesborough, Michael G. S, Hnyk, Drahomír, Bould, Jonathan, Serrano-Andrés, Luis, Sauri, Vicenta, Oliva, Josep M, Kubát, Pavel, Polívka, Tomáš, Lang, Kamil

    Published in Inorganic chemistry
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  6. 6
    A distance-dependent parameterization of the extended Hubbard model for conjugated and aromatic hydrocarbons derived from stretched ethene

    A distance-dependent parameterization of the extended Hubbard model for conjugated and aromatic hydrocarbons derived from stretched ethene by Schmalz, Thomas G., Serrano-Andrés, Luis, Sauri, Vicenta, Merchán, Manuela, Oliva, Josep M.

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  7. 7
    Distinct Photophysics of the Isomers of B 18 H 22 Explained

    Distinct Photophysics of the Isomers of B 18 H 22 Explained by Londesborough, Michael G. S., Hnyk, Drahomír, Bould, Jonathan, Serrano-Andrés, Luis, Sauri, Vicenta, Oliva, Josep M., Kubát, Pavel, Polívka, Tomáš, Lang, Kamil

    Published in Inorganic chemistry
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  8. 8
    Tuning the Photophysical Properties of anti -B 18 H 22 : Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4′-(HS) 2 - anti -B 18 H 20

    Tuning the Photophysical Properties of anti -B 18 H 22 : Efficient Intersystem Crossing between Excited Singlet and Triplet States in New 4,4′-(HS) 2 - anti -B 18 H 20 by Saurí, Vicenta, Oliva, Josep M., Hnyk, Drahomír, Bould, Jonathan, Braborec, Jakub, Merchán, Manuela, Kubát, Pavel, Císařová, Ivana, Lang, Kamil, Londesborough, Michael G. S.

    Published in Inorganic chemistry
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