Mr HANNACHI Yacine

Téléphone 05 40 00 64 05

Groupe de recherche Chimie Théorique et Modélisation

Statut Permanent

Poste Enseignant-chercheur

Batiment A12

Etage 3° Est

Contacter cette personne

Publications

Renault, B., Cloutet, E., Cramail, H., Hannachi, Y., Tassaing, T. (2008). A combined spectroscopic and theoretical study of dibutyltin diacetate and dilaurate in supercritical CO2. In Journal of Physical Chemistry A (Vol. 112, Issue 36, p. 8379-8386). https://doi.org/10.1021/jp8004822

Poully, B., Bergeat, A., Hannachi, Y. (2008). Theoretical study of the mechanism and rate constant of the B + CO 2 reaction. In Journal of Physical Chemistry A (Vol. 112, Issue 35, p. 8148-8153). https://doi.org/10.1021/jp804504g

Loison, J.C., Bergeat, A., Caralp, F., Hannachi, Y. (2006). Rate constants and H atom branching ratios of the gas-phase reactions of methylidyne CH(X2II) radical with a series of alkanes. In Journal of Physical Chemistry A (Vol. 110, Issue 50, p. 13500-13506). https://doi.org/10.1021/jp065831r

Dobrogorskaya, Y., Mascetti, J., Pápai, I., Hannachi, Y. (2005). Theoretical investigation of the reactivity of copper atoms with OCS: Comparison with CS2 and CO2. In Journal of Physical Chemistry A (Vol. 109, Issue 35, p. 7932-7937). https://doi.org/10.1021/jp052853p

Kaiser, R.I., Balucani, N., Galland, N., Caralp, F., Rayez, M.T., Hannachi, Y. (2004). Unraveling the chemical dynamics of bimolecular reactions of ground state boron atoms, B(2Pj), with acetylene, C2H 2(X 1∑g+). In Physical Chemistry Chemical Physics (Vol. 6, Issue 9, p. 2205-2210). https://doi.org/10.1039/b315439b

Hannachi, Y., Mascetti, J., Stirling, A., Pápai, I. (2003). Metal insertion route of the Ni + CO2 → NiO + CO reaction. In Journal of Physical Chemistry A (Vol. 107, Issue 34, p. 6708-6713). https://doi.org/10.1021/jp0351324

Galland, N., Caralp, F., Hannachi, Y., Bergeat, A., Loison, J.C. (2003). Experimental and theoretical studies of the methylidyne CH(X2∏) radical reaction with ethane (C2H6): Overall rate constant and product channels. In Journal of Physical Chemistry A (Vol. 107, Issue 28, p. 5419-5426). https://doi.org/10.1021/jp027465r

Sillars, D., Kaiser, R.I., Galland, N., Hannachi, Y. (2003). Crossed-beam reaction of boron atoms, B (2Pj), with dimethylacetylene, CH3CCCH3 (X1A1g): Untangling the reaction dynamics to form the 1,2-dimethylene-3-bora-cyclopropane molecule. In Journal of Physical Chemistry A (Vol. 107, Issue 26, p. 5149-5156). https://doi.org/10.1021/jp022469h

Dobrogorskaya, Y., Mascetti, J., Pápai, I., Nemukhin, A., Hannachi, Y. (2003). Theoretical investigation of the reactivity of copper atoms with carbon disulfide. In Journal of Physical Chemistry A (Vol. 107, Issue 15, p. 2711-2715). https://doi.org/10.1021/jp027744e

Pápai, I., Schubert, G., Hannachi, Y., Mascetti, J. (2002). 2A′ and 2A″ energy surfaces for the Sc + CO2 → ScO + CO reaction. In Journal of Physical Chemistry A (Vol. 106, Issue 41, p. 9551-9557). https://doi.org/10.1021/jp025918m

Pápai, I., Hannachi, Y., Gwizdala, S., Mascetti, J. (2002). Vanadium insertion into CO2, CS2 and OCS: A comparative theoretical study. In Journal of Physical Chemistry A (Vol. 106, Issue 16, p. 4181-4186). https://doi.org/10.1021/jp014034k

Galland, N., Caralp, F., Rayez, M.T., Hannachi, Y., Loison, J.C., Dorthe, G., Bergeat, A. (2001). Reaction of carbon atoms, C (2p2,3P), with hydrogen sulfide, H2S (X1A1): Overall rate constant and product channels. In Journal of Physical Chemistry A (Vol. 105, Issue 43, p. 9893-9900). https://doi.org/10.1021/jp011713m

Balucani, N., Asvany, O., Lee, Y.T., Kaiser, R.I., Galland, N., Rayez, M.T., Hannachi, Y. (2001). Gas-phase detection of the HBCC (X1Σ) molecule: A combined crossed beam and computational study of the B(2P) + C2H2(1Σg+) reaction. In Journal of Computational Chemistry (Vol. 22, Issue 13, p. 1359-1365). https://doi.org/10.1002/jcc.1094

Balucani, N., Asvany, O., Lee, Y.T., Kaiser, R.I., Galland, N., Hannachi, Y. (2000). Observation of borirene from crossed beam reaction of boron atoms with ethylene [5]. In Journal of the American Chemical Society (Vol. 122, Issue 45, p. 11234-11235). https://doi.org/10.1021/ja001447a

Galland, N., Hannachi, Y., Lanzisera, D.V., Andrews, L. (2000). Theoretical study of structures, energetics and vibrational properties of BC2H5 species. In Chemical Physics (Vol. 255, Issue 2-3, p. 205-215). https://doi.org/10.1016/S0301-0104(00)00091-4

Andrews, L., Zhou, M., Chertihin, G.V., Bare, W.D., Hannachi, Y. (2000). Reactions of laser-ablated aluminum atoms with nitrogen atoms and molecules. Infrared spectra and density functional calculations for the AlN2, Al2N, Al2N2, AlN3, and Al3N molecules. In Journal of Physical Chemistry A (Vol. 104, Issue 8, p. 1656-1661). https://doi.org/10.1021/jp993517+

Andrews, L., Zhou, M., Chertihin, G.V., Bare, W.D., Hannachi, Y. (2000). Reactions of laser-ablated aluminum atoms with nitrogen during condensation at 10 K. Infrared spectra and density functional calculations for [formula omitted] molecular species. In Low Temperature Physics (Vol. 26, Issue 9, p. 736-743). https://doi.org/10.1063/1.1312401

Schriver-Mazzuoli, L., Schriver, A., Hannachi, Y. (1998). Matrix infrared study of O-initiated atomic oxidation of CH3Cl: Identification of the triplet CH3Cl⋯O complex. In Journal of Physical Chemistry A (Vol. 102, Issue 50, p. 10221-10229). https://doi.org/10.1021/jp9828538

Kreissler, M., Lavialle, L., Boggio-Pasqua, M., Hannachi, Y. (1998). Ab Initio study of the structure, cooperativity and vibrational properties of the H2O:(HCl)2 hydrogen bonded complex. In Journal of Molecular Structure THEOCHEM (Vol. 452, Issue 1-3, p. 55-66). https://doi.org/10.1016/S0166-1280(98)00131-6

Andrews, L., Lanzisera, D.V., Hassanzadeh, P., Hannachi, Y. (1998). Reactions of laser-ablated boron atoms with ethylene and ethane. Infrared spectra and DFT calculations for several novel BC2Hx (x = 1, 2, 3, 4, 5) molecules. In Journal of Physical Chemistry A (Vol. 102, Issue 19, p. 3259-3267). https://doi.org/10.1021/jp980437h

Galland, N., Hannachi, Y., Lanzisera, D.V., Andrews, L. (1998). Theoretical study of structures, energetics and vibrational properties of BC 2 H 3 species. In Chemical Physics (Vol. 230, Issue 2-3, p. 143-151). https://doi.org/10.1016/S0301-0104(98)00050-0

Lee, Y.K., Hannachi, Y., Xu, C., Andrews, L., Manceron, L. (1996). Infrared spectrum of nickel-monoethylene. An infrared argon matrix and normal coordinate analysis study. In Journal of Physical Chemistry (Vol. 100, Issue 27, p. 11228-11234). https://doi.org/10.1021/jp960292j

Hannachi, Y., Hassanzadeh, P., Andrews, L. (1996). Reaction of boron atoms with ethylene: Ab initio study of the borirane radical. In Chemical Physics Letters (Vol. 250, Issue 3-4, p. 421-427). https://doi.org/10.1016/0009-2614(95)01447-0

Castellan, A., Grelier, S., Kessab, L., Nourmamode, A., Hannachi, Y. (1996). Photophysics and photochemistry of a lignin model molecule containing α-carbonyl guaiacyl and 4-hydroxy-3-methoxybenzyl alcohol moieties. In Journal of the Chemical Society Perkin Transactions 2 (Vol. 6, p. 1131-1138). https://doi.org/10.1039/P29960001131

Alikhani, M.E., Hannachi, Y., Manceron, L., Bouteiller, Y. (1995). A density functional study of M-C2H4 complexes (M=Li, Na, K): Singularity of the Li atom. In Journal of Chemical Physics (Vol. 103, Issue 23, p. 10128-10136). https://doi.org/10.1063/1.469914

Hannachi, Y., Hassanzadeh, P., Andrews, L. (1994). Ab initio study of the insertion product of the boron-methane reaction: CH3BH. In Journal of Physical Chemistry (Vol. 98, Issue 28, p. 6950-6954). https://doi.org/10.1021/j100079a011

Hassanzadeh, P., Hannachi, Y., Andrews, L. (1993). Pulsed laser evaporated boron atom reactions with methane. 2. Infrared spectra of H2CBH2, H2CBH, HCBH, and HBCBH in solid argon. In Journal of Physical Chemistry (Vol. 97, Issue 24, p. 6418-6424). https://doi.org/10.1021/j100126a016

Bohn, R.B., Hannachi, Y., Andrews, L. (1992). Production and Reactions of Triplet CS: Matrix Infrared and Ultraviolet Spectra Of C2S2. In Journal of the American Chemical Society (Vol. 114, Issue 16, p. 6452-6459). https://doi.org/10.1021/ja00042a024

Hannachi, Y., Silvi, B., Bouteiller, Y. (1992). Ab initio study of the structure, cooperativity, and vibrational properties of the H2O: (HF)2 hydrogen bonded complex. In Journal of Chemical Physics (Vol. 97, Issue 3, p. 1911-1918). https://doi.org/10.1063/1.463127

Hannachi, Y., Barthelat, J.C., Jolly, L.‐., Silvi, B., Bouteiller, Y. (1992). Extended Gaussian‐type valence basis sets for calculations involving nonempirical core pseudopotentials. II. PS‐21 G Basis for Li to Ca and Ga to Kr atoms. In International Journal of Quantum Chemistry (Vol. 42, Issue 3, p. 509-521). https://doi.org/10.1002/qua.560420312

Andrews, L., McInnis, T.C., Hannachi, Y. (1992). Photochemistry of hydrogen sulfide-fluorine complexes in solid argon. Infrared spectra of (HSF)(HF) complexes. In Journal of Physical Chemistry (Vol. 96, Issue 11, p. 4248-4254). https://doi.org/10.1021/j100190a027

Silvi, B., Allavena, M., Hannachi, Y., D'Arco, P. (1992). Pseudopotential Periodic Hartree‐Fock Study of the Cristobalite Phases of Silica and Germanium Dioxide. In Journal of the American Ceramic Society (Vol. 75, Issue 5, p. 1239-1246). https://doi.org/10.1111/j.1151-2916.1992.tb05563.x

Hannachi, Y., Ángyán, J.G. (1991). The role of induction forces in infra-red matrix shifts: quantum chemical calculations with reaction field model hamiltonian. In Journal of Molecular Structure THEOCHEM (Vol. 232, Issue C, p. 97-110). https://doi.org/10.1016/0166-1280(91)85247-5

Hannachi, Y., Silvi, B., Perchard, J.P., Bouteiller, Y. (1991). Ab initio study of the infrared photoconversion in the water-hydrogen iodide system. In Chemical Physics (Vol. 154, Issue 1, p. 23-32). https://doi.org/10.1016/0301-0104(91)89039-D

Hannachi, Y., Silvi, B., Bouteiller, Y. (1991). Structure and vibrational properties of water hydrogen halide complexes. In Journal of Chemical Physics (Vol. 94, Issue 4, p. 2915-2922). https://doi.org/10.1063/1.459813

Hannachi, Y., Schriver, L., Schriver, A., Perchard, J.P. (1989). Infrared photodissociation of hydrogen-bonded complexes trapped in inert matrices. The water-hydrogen iodide system. In Chemical Physics (Vol. 135, Issue 2, p. 285-299). https://doi.org/10.1016/0301-0104(89)87028-4

Hannachi, Y., Silvi, B. (1989). Structure and bonding of hydrogen halide complexes: An ab initio calculation of the 1:1 species. In Journal of Molecular Structure THEOCHEM (Vol. 200, Issue C, p. 483-496). https://doi.org/10.1016/0166-1280(89)85073-0