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  1. Article ; Online: Capture of CO

    Ferrer, Maxime / Alkorta, Ibon / Elguero, Jose / Oliva-Enrich, Josep M

    The journal of physical chemistry. A

    2024  Volume 128, Issue 7, Page(s) 1288–1296

    Abstract: A theoretical study of the interaction between melamine and ... ...

    Abstract A theoretical study of the interaction between melamine and CO
    Language English
    Publishing date 2024-02-13
    Publishing country United States
    Document type Journal Article
    ISSN 1520-5215
    ISSN (online) 1520-5215
    DOI 10.1021/acs.jpca.3c08412
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: (Pyridin-2-ylmethyl)triel Derivatives as Masked Frustrated Lewis Pairs. Interactions and CO

    Ferrer, Maxime / Alkorta, Ibon / Elguero, Jose / Oliva-Enrich, Josep M

    Chemphyschem : a European journal of chemical physics and physical chemistry

    2024  Volume 25, Issue 6, Page(s) e202300750

    Abstract: The isolated (pyridin-2-ylmethyl)triel derivatives (triel=B, Al and Ga) show an intramolecular N⋅⋅⋅Tr triel bond as shown by compounds found in the Cambridge Structural Database and DFT calculations. The possibility to use them as masked frustrated Lewis ...

    Abstract The isolated (pyridin-2-ylmethyl)triel derivatives (triel=B, Al and Ga) show an intramolecular N⋅⋅⋅Tr triel bond as shown by compounds found in the Cambridge Structural Database and DFT calculations. The possibility to use them as masked frustrated Lewis pairs (mFLP) has been explored theoretically concerning their reaction with CO
    Language English
    Publishing date 2024-01-25
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2025223-7
    ISSN 1439-7641 ; 1439-4235
    ISSN (online) 1439-7641
    ISSN 1439-4235
    DOI 10.1002/cphc.202300750
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: A multi-FLP approach for CO

    Ferrer, Maxime / Alkorta, Ibon / Elguero, José / Oliva-Enrich, Josep M

    Physical chemistry chemical physics : PCCP

    2024  Volume 26, Issue 16, Page(s) 12433–12443

    Abstract: The reactivity of ... ...

    Abstract The reactivity of B
    Language English
    Publishing date 2024-04-24
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d4cp00496e
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds.

    López-Sánchez, Rubén / Ferrer, Maxime / Oliva-Enrich, Josep M / Alkorta, Ibon / Elguero, José

    Chemphyschem : a European journal of chemical physics and physical chemistry

    2024  Volume 25, Issue 7, Page(s) e202300809

    Abstract: A comprehensive comparison between known benzene mono-substituted compounds R-Ph and the corresponding isoelectronic unknown R-cyclohexaborane(12) molecules is carried out from a geometric and electronic structure point of view, with R={H, ... ...

    Abstract A comprehensive comparison between known benzene mono-substituted compounds R-Ph and the corresponding isoelectronic unknown R-cyclohexaborane(12) molecules is carried out from a geometric and electronic structure point of view, with R={H, BH
    Language English
    Publishing date 2024-02-15
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2025223-7
    ISSN 1439-7641 ; 1439-4235
    ISSN (online) 1439-7641
    ISSN 1439-4235
    DOI 10.1002/cphc.202300809
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  5. Article ; Online: Reactivity of a model of B

    Ferrer, Maxime / Alkorta, Ibon / Elguero, Jose / Oliva-Enrich, Josep M

    Scientific reports

    2023  Volume 13, Issue 1, Page(s) 2407

    Abstract: The reactivity of a ... ...

    Abstract The reactivity of a B
    Language English
    Publishing date 2023-02-10
    Publishing country England
    Document type Journal Article
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-023-29336-y
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  6. Article ; Online: A theoretical study of the reaction of borata derivatives of benzene, anthracene and pentacene with CO

    Ferrer, Maxime / Alkorta, Ibon / Elguero, José / Oliva-Enrich, Josep M

    Physical chemistry chemical physics : PCCP

    2023  Volume 25, Issue 33, Page(s) 22512–22522

    Abstract: A theoretical study of the reaction between several borataacenes (1-methylboratabenzene, 9-methyl-9-borataanthracene ... ...

    Abstract A theoretical study of the reaction between several borataacenes (1-methylboratabenzene, 9-methyl-9-borataanthracene and
    Language English
    Publishing date 2023-08-23
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d3cp02516k
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Use of 5,10-Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO

    Ferrer, Maxime / Alkorta, Ibon / Elguero, Jose / Oliva-Enrich, Josep M

    Chemphyschem : a European journal of chemical physics and physical chemistry

    2022  Volume 23, Issue 18, Page(s) e202200204

    Abstract: The reactivity of 5,10-disubstituted dibenzoazaborines and dibenzophosphaborines towards carbon dioxide was studied at the DFT, M06-2X/def2-TZVP, computational level. The profile of this reaction comprises of three stationary points: the pre-reactive ... ...

    Abstract The reactivity of 5,10-disubstituted dibenzoazaborines and dibenzophosphaborines towards carbon dioxide was studied at the DFT, M06-2X/def2-TZVP, computational level. The profile of this reaction comprises of three stationary points: the pre-reactive complex and adduct minima and the transition state(TS) linking both minima. Initial results show that dibenzoazaborines derivatives are less suitable to form adducts with CO
    MeSH term(s) Boron ; Carbon Dioxide/chemistry
    Chemical Substances Carbon Dioxide (142M471B3J) ; Boron (N9E3X5056Q)
    Language English
    Publishing date 2022-07-14
    Publishing country Germany
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2025223-7
    ISSN 1439-7641 ; 1439-4235
    ISSN (online) 1439-7641
    ISSN 1439-4235
    DOI 10.1002/cphc.202200204
    Database MEDical Literature Analysis and Retrieval System OnLINE

    Full text online

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  8. Article ; Online: Complexes Between Adamantane Analogues B

    Oliva-Enrich, Josep M / Alkorta, Ibon / Elguero, José

    Molecules (Basel, Switzerland)

    2020  Volume 25, Issue 5

    Abstract: In this work, we study the interactions between adamantane-like structures ... ...

    Abstract In this work, we study the interactions between adamantane-like structures B
    MeSH term(s) Adamantane/chemistry ; Boron/chemistry ; Hydrogen/chemistry ; Hydrogen Bonding ; Molecular Conformation ; Static Electricity ; Thermodynamics
    Chemical Substances Hydrogen (7YNJ3PO35Z) ; Boron (N9E3X5056Q) ; Adamantane (PJY633525U)
    Language English
    Publishing date 2020-02-26
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules25051042
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

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  9. Article: Hydrogen vs. Halogen Bonds in 1-Halo-

    Alkorta, Ibon / Elguero, Jose / Oliva-Enrich, Josep M

    Materials (Basel, Switzerland)

    2020  Volume 13, Issue 9

    Abstract: A theoretical study of the hydrogen bond (HB) and halogen bond (XB) complexes between 1-halo- ...

    Abstract A theoretical study of the hydrogen bond (HB) and halogen bond (XB) complexes between 1-halo-
    Language English
    Publishing date 2020-05-07
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2487261-1
    ISSN 1996-1944
    ISSN 1996-1944
    DOI 10.3390/ma13092163
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  10. Article ; Online: Hybrid Boron-Carbon Chemistry.

    Oliva-Enrich, Josep M / Alkorta, Ibon / Elguero, José

    Molecules (Basel, Switzerland)

    2020  Volume 25, Issue 21

    Abstract: The recently proved one-to-one structural equivalence between a conjugated hydrocarbon ... ...

    Abstract The recently proved one-to-one structural equivalence between a conjugated hydrocarbon C
    MeSH term(s) Boranes/chemistry ; Boron/chemistry ; Carbon/chemistry ; Models, Chemical
    Chemical Substances Boranes ; Carbon (7440-44-0) ; Boron (N9E3X5056Q)
    Language English
    Publishing date 2020-10-29
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 1413402-0
    ISSN 1420-3049 ; 1431-5165 ; 1420-3049
    ISSN (online) 1420-3049
    ISSN 1431-5165 ; 1420-3049
    DOI 10.3390/molecules25215026
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    In stock of ZB MED Cologne/Königswinter

    Zs.MO 81: Show issues

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