Search Results - "Ben Lakhdar, Z."
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Quantitative analysis of pathological nails using laser-induced breakdown spectroscopy (LIBS) technique
Published in Lasers in medical science (01-01-2011)“…Laser-induced breakdown spectroscopy (LIBS) has been used as a potential method for simultaneous measurement of the elements Ca, Na, and K, for normal and…”
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Calculation of self-absorption coefficients of calcium resonance lines in the case of a CaCl2–water plasma
Published in Spectrochimica acta. Part B: Atomic spectroscopy (01-10-2008)“…The resonance escape factors for the lines emitted by a neutral calcium atom Ca I at 4226.73 Å and of ionic calcium Ca II at 3933.66 Å and at 3968.47 Å are…”
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Theoretical study of HBeO
Published in Chemical physics (2006)“…Using multi-reference configuration interaction (MRCI) and coupled-cluster RCCSD(T) ab initio methods three-dimensional potential energy surfaces (PES) have…”
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Low-Temperature Rate Constants for Rotational Excitation and De-excitation of C3 (X1Σg+) by Collisions with He (1S)
Published in The Astrophysical journal (10-10-2008)Get full text
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Ab initio potential energy surfaces for the study of rotationally inelastic CH ( X 2 Π ) + H ( 2 S ) collisions
Published in Chemical physics letters (21-04-2008)“…Contour plots of the MRCI + Q PESs for the 1A′ state correlating to the CH(X 2Π) + H( 2S) asymptote. The four potential energy surfaces (PESs) associated,…”
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Theoretical investigations of the SH + and LiS + cations
Published in Journal of molecular spectroscopy (2006)“…Reliable theoretical data on spectroscopy and spin–orbit matrix elements are computed for the lowest electronic states of SH + and LiS + ions. Accurate…”
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DFT study of ground state proton transfer in 2-pyridone/2-hydroxypyridine–ammonia clusters
Published in Chemical physics (16-05-2005)“…DFT calculations in the ground state have been performed for 2-hydroxypyridine–ammonia clusters 2HP · (NH 3) n ( n = 1 to 5) and their tautomers. Structures,…”
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LIF and CRDS techniques for the study of helium and argon relaxation effects on the CaBr ground state formed via chemical reaction
Published in Molecular physics (10-06-2007)“…The effect of the nature of the buffer gas on the rotational and vibrational relaxation of the population distribution of CaBr in the X 2 Σ + state has been…”
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One-electron pseudopotential calculations of electronic properties of NaArn: Low-energy isomers and absorption spectra
Published in International journal of quantum chemistry (15-09-2004)“…We present a calculation of geometric structures and optical transitions in NaArn clusters. The energy of the system in its ground state is described using…”
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Theoretical study of the C3S molecule
Published in Theoretical chemistry accounts (01-10-2005)“…For the most stable linear isomer of C3S in its X-1 Sigma(+) state a six- dimensional potential energy surface ( PES) has been calculated ab initio by coupled…”
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Electronic structure and spectroscopy of the ground and excited states of the HMgO and HMgS radicals
Published in Chemical physics (15-11-2003)“…Ab initio RCCSD(T) and MRCI calculations have been carried out for the stable isomer forms of magnesium monohydroxide, HMgO and monohydrosulfide, HMgS. For…”
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Kinetic study of the reaction H2O2+H→H2O+OH by ab initio and density functional theory calculations
Published in Journal of molecular structure. Theochem (29-09-2006)Get full text
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Theoretical study of the HNS + /HSN + radical cations
Published in Journal of molecular structure. Theochem (01-01-2002)“…The three dimensional CASSCF-MRCI potential energy functions have been calculated for the X(2)A' and A(2)A" electronic states of HNS+ and for the X(2)A' state…”
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Stark broadening of neutral oxygen lines in the impact and quasistatic approximations
Published in Physica scripta (01-12-1996)Get full text
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Excited state proton transfer in 2-hydroxypyridine–ammonia clusters: Theoretical investigation
Published in Chemical physics letters (19-10-2006)“…The electronic and structural properties of 2-hydroxypyridine (2HP) and 2HP · (NH 3) n ( n = 1–4) and their tautomers in the excited state are studied. It was…”
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Six-coordination in Chlorophylls: The fundamental role of dispersion energy
Published in Chemical physics letters (20-04-2009)“…Dispersion represents a major energy contribution to second axial ligation in Mg-porphyrins and Chlorophylls. Though protein embedded Chlorophylls almost…”
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