| 1 |
The structural, electronic and vibrational properties of LiOH and NaOH: an ab initio study
Merawa M, Labeguerie P, Ugliengo P, Doll K, Dovesi R
Chemical Physics Letters, 387(4-6), 453, 2004 |
| 2 |
Infrared spectra of hydrogen-bonded ionic crystals: Ab initio study of Mg(OH)(2) and beta-Be(OH)(2)
Ugliengo P, Pascale F, Merawa M, Labeguerie P, Tosoni S, Dovesi R
Journal of Physical Chemistry B, 108(36), 13632, 2004 |
| 3 |
Structural, electronic and elastic properties of some fluoride crystals: an ab initio study
Merawa M, Llunell M, Orlando R, Gelize-Duvignau M, Dovesi R
Chemical Physics Letters, 368(1-2), 7, 2003 |
| 4 |
High-correlation methods for-the calculations of the ground (X-1 Sigma(+)) and first low-lying excited (A (3)Sigma(+) and A (1)Sigma(+)) states dipole polarizabilities of NaLi
Merawa M, Begue D, Dargelos A
Chemical Physics Letters, 372(3-4), 529, 2003 |
| 5 |
Structural, electronic, and vibrational properties of solid Sr(OH)(2), calculated with different Hamiltonians
Merawa M, Civalleri B, Ugliengo P, Noel Y, Lichanot A
Journal of Chemical Physics, 119(2), 1045, 2003 |
| 6 |
Ab initio calculation of the polarizability for the ground state X-1 Sigma(+) and the first low-lying excited states a(3)Sigma(+) and A(1)Sigma(+) of LiH and NaH
Merawa M, Begue D, Dargelos A
Journal of Physical Chemistry A, 107(45), 9628, 2003 |
| 7 |
Long-range dispersion coefficients for the low-lying electronic states of Mg-2 from the calculation of the frequency-dependent dipole polarizabilities of Mg in its ground and excited states
Merawa M, Begue D, Rerat M, Pouchan C
Chemical Physics Letters, 334(4-6), 403, 2001 |
| 8 |
Excited states dipole polarizabilities of calcium atom and long-range dispersion coefficients for the low-lying electronic states of Ca-2 and CaMg
Merawa M, Tendero C, Rerat M
Chemical Physics Letters, 343(3-4), 397, 2001 |
| 9 |
V-OH center in magnesium oxide: an ab initio supercell study
Lichanot A, Orlando R, Mallia G, Merawa M, Dovesi R
Chemical Physics Letters, 318(1-3), 240, 2000 |
| 10 |
Long-range coefficients for the low-lying electronic states of BeLi and Be-2
Begue D, Merawa M, Rerat M, Pouchan C
Journal of Chemical Physics, 110(4), 2051, 1999 |
