Search Results - Krallafa, Abdelghani Mohamed

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  1. 1
    Selectivity in the Wittig reaction within the ab initio static and metadynamics approaches

    Selectivity in the Wittig reaction within the ab initio static and metadynamics approaches by Adda, Abdelghani, Aoul, Ratiba Hadjadj, Sediki, Hayat, Sehailia, Moussa, Krallafa, Abdelghani Mohamed

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  2. 2
    Effectiveness electronic density‐based descriptor to index hard–hard interaction

    Effectiveness electronic density‐based descriptor to index hard–hard interaction by Benomrane, Brahim, Hamza Reguig, Farouk, Krallafa, Abdelghani Mohamed

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  3. 3
    Effect of mutation on the stabilization energy of HIV-1 zinc fingers: a hybrid local self-consistent field/molecular mechanics investigation

    Effect of mutation on the stabilization energy of HIV-1 zinc fingers: a hybrid local self-consistent field/molecular mechanics investigation by Drici, Nedjoua, Krallafa, Mohamed Abdelghani

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  4. 4
    Ab initio static and metadynamics investigations of the Wittig reaction

    Ab initio static and metadynamics investigations of the Wittig reaction by Adda, Abdelghani, Hadjadj-Aoul, Ratiba, Lebsir, Fouad, Krallafa, Abdelghani Mohamed

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  5. 5
    Structure, Dynamics, and Photophysical Properties of a Series of [Pt(NH2R)4]–[PtX4] Complexes

    Structure, Dynamics, and Photophysical Properties of a Series of [Pt(NH2R)4]–[PtX4] Complexes by Djouama, Rabie, Hamza Reguig, Farouk, Bounaceur, Boumediene, Dauchez, Manuel, Krallafa, Abdelghani Mohamed

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  6. 6
    Temperature effect on the structure and conformational fluctuations in two zinc knuckles from the mouse mammary tumor virus

    Temperature effect on the structure and conformational fluctuations in two zinc knuckles from the mouse mammary tumor virus by Nedjoua, Drici, Krallafa, Abdelghani Mohamed

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  7. 7
    Born Oppenheimer Molecular Dynamics calculation of the v sub(O-H) IR spectra for acetic acid cyclic dimers

    Born Oppenheimer Molecular Dynamics calculation of the v sub(O-H) IR spectra for acetic acid cyclic dimers by Benmalti, Mohamed El Amine, Krallafa, Abdelghani, Gaigeot, Marie-Pierre

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  8. 8
    Theoretical study of the ν O–H IR spectra for the hydrogen bond dimers from the polarized spectra of glutaric and 1-naphthoic acid crystals: Fermi resonances effects

    Theoretical study of the ν O–H IR spectra for the hydrogen bond dimers from the polarized spectra of glutaric and 1-naphthoic acid crystals: Fermi resonances effects by Benmalti, Mohamed El Amine, Krallafa, Abdelghani, Rekik, Najeh, Belhakem, Mostefa

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  9. 9
    Born Oppenheimer Molecular Dynamics calculation of the ν O-H IR spectra for acetic acid cyclic dimers

    Born Oppenheimer Molecular Dynamics calculation of the ν O-H IR spectra for acetic acid cyclic dimers by Benmalti, Mohamed El Amine, Krallafa, Abdelghani, Gaigeot, Marie-Pierre

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