Reaction of CN– with F, Cl, O, and S Atoms: Attachment or Associative Detachment? by Khiri, D, Chambaud, G

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In silico design of a new Zn–triazole based metal–organic framework for CO2 and H2O adsorption by Dahmani, R., Grubišić, S., Djordjević, I., Ben Yaghlane, S., Boughdiri, S., Chambaud, G., Hochlaf, M.

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Spin-Orbit Effects in the Spectroscopy of the X 2 Π and a 4 Σ - Electronic States of Carbon Iodide, CI by Khiri, D, Hochlaf, M, Maroulis, G, Chambaud, G

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Carbazole derivatives containing chalcone analogues targeting topoisomerase II inhibition: First principles characterization and QSAR modelling by Ghamri, M., Harkati, D., Belaidi, S., Boudergua, S., Said, R. Ben, Linguerri, R., Chambaud, G., Hochlaf, M.

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Energetic Diagrams and Structural Properties of Monohaloacetylenes HCCX (X = F, Cl, Br) by Khiri, D., Hochlaf, M., Chambaud, G.

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First-principles based multiscale model of piezoelectric nanowires with surface effects by Hoang, M.-T., Yvonnet, J., Mitrushchenkov, A., Chambaud, G.

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Nucleophilic or Electrophilic Interactions of C2 with HX Systems (X = F, Cl, Br) by Khiri, D, Gritli, H, Chambaud, G

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Finite element model of ionic nanowires with size-dependent mechanical properties determined by ab initio calculations by Yvonnet, J., Mitrushchenkov, A., Chambaud, G., He, Q.-C.

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New study of the stability and of the spectroscopy of the molecular anions NCO − and CNO by Léonard, C., Gritli, H., Chambaud, G.

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Are there stable excited triplet states of NCS−/CNS− and NCO−/CNO−? by Khiri, D., Gritli, H., Peterson, K.A., Chambaud, G.

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Structure, Spectroscopy, and Bonding within the Zn q+–Imidazole n (q = 0, 1, 2; n = 1–4) Clusters and Implications for Zeolitic Imidazolate Frameworks and Zn–Enzymes by Boussouf, K, Khairat, T, Prakash, M, Komiha, N, Chambaud, G, Hochlaf, M

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Size-dependent mechanical properties of axial and radial mixed AlN/GaN nanostructure by Hoang, M-T, Yvonnet, J, Mitrushchenkov, A, Chambaud, G, Duan, H L

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Towards an elastic model of wurtzite AlN nanowires by Mitrushchenkov, A, Chambaud, G, Yvonnet, J, He, Q-C

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Theoretical study of chemi- and physisorption processes of H2 molecules on a (100) surface of silver by Cilpa, G., Guitou, M., Chambaud, G.

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Rotational excitation and de-excitation of C2(X Σ1g+) by para-H2(j=) by Najar, F., Ben Abdallah, D., Jaidane, N., Ben Lakhdar, Z., Chambaud, G., Hochlaf, M.

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Ab initio Study of HZnF by Hayashi, S, Léonard, C, Chambaud, G

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Physisorption energy of successive layers of H2 molecules with a (100) surface of copper by CILPA, G, CHAMBAUD, G

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Electronic structure and spectroscopy of monohalides of metals of group I-B by Guichemerre, M., Chambaud, G., Stoll, H.

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Electronic structure, reactivity, and spectroscopy of dihydrides of group-IB metals by Guitou-Guichemerre, M, Chambaud, G

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Low-Temperature Rate Constants for Rotational Excitation and De-excitation of C3 (X1Σg+) by Collisions with He (1S) by Ben Abdallah, D, Hammami, K, Najar, F, Jaidane, N, Ben Lakhdar, Z, Senent, M. L, Chambaud, G, Hochlaf, M

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