Size-consistent self-consistent configuration interaction from a complete active space N Ben Amor, D Maynau Chemical physics letters 286 (3-4), 211-220, 1998 | 163 | 1998 |
Local character of magnetic coupling in ionic solids IPR Moreira, F Illas, CJ Calzado, JF Sanz, JP Malrieu, NB Amor, ... Physical Review B 59 (10), 6593-6596, 1999 | 139* | 1999 |
Ab initio study of the exchange coupling in oxalato-bridged Cu (II) dinuclear complexes J Cabrero, NB Amor, C De Graaf, F Illas, R Caballol The Journal of Physical Chemistry A 104 (44), 9983-9989, 2000 | 124 | 2000 |
Inspection of the Duality of a Verdazyl-Based Radical in Transition Metal Complexes: A π* Donor Ligand and a Magnetic Partner JB Rota, L Norel, C Train, NB Amor, D Maynau, V Robert Journal of the American Chemical Society 130 (31), 10380-10385, 2008 | 82 | 2008 |
Influence of the Halogen Ligand on the Near-UV-Visible Spectrum of [Ru (X)(Me)(CO) 2 (α-diimine)](X= Cl, I; α-Diimine= Me-DAB, iPr-DAB; DAB= 1, 4-Diaza-1, 3-butadiene): An ab … S Záliš, NB Amor, C Daniel Inorganic chemistry 43 (25), 7978-7985, 2004 | 64 | 2004 |
Direct selected multireference configuration interaction calculations for large systems using localized orbitals N Ben Amor, F Bessac, S Hoyau, D Maynau The Journal of chemical physics 135 (1), 014101-014101-14, 2011 | 50 | 2011 |
Antiferromagnetic behavior based on quasi-orthogonal MOs: synthesis and characterization of a Cu3 oxidase model B Le Guennic, S Petit, G Chastanet, G Pilet, D Luneau, N Ben Amor, ... Inorganic chemistry 47 (2), 572-577, 2008 | 46 | 2008 |
The electronic spectroscopy of transition metal carbonyls: The tough case of Cr (CO) 6 NB Amor, S Villaume, D Maynau, C Daniel Chemical physics letters 421 (4), 378-382, 2006 | 45 | 2006 |
Singlet-triplet gap in α-n-dehydrotoluene and related biradicals: An ab initio configuration interaction study J Cabrero, N Ben-Amor, R Caballol The Journal of Physical Chemistry A 103 (31), 6220-6224, 1999 | 39 | 1999 |
Addressing Through-H Magnetic Interactions: A Comprehensive ab Initio Analysis of This Efficient Coupler BL Guennic, NB Amor, D Maynau, V Robert Journal of Chemical Theory and Computation 5 (6), 1506-1510, 2009 | 36 | 2009 |
Theoretical determination of adsorption and ionisation energies of polycyclic aromatic hydrocarbons on water ice E Michoulier, NB Amor, M Rapacioli, JA Noble, J Mascetti, C Toubin, ... Physical Chemistry Chemical Physics 20 (17), 11941-11953, 2018 | 34 | 2018 |
A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: The case of the singlet n→ π∗(CO) transition of the acrolein T Bouabça, N Ben Amor, D Maynau, M Caffarel The Journal of chemical physics 130 (11), 114107-114107-8, 2009 | 33 | 2009 |
Multi-scale multireference configuration interaction calculations for large systems using localized orbitals: Partition in zones. C Chang, CJ Calzado, NB Amor, JS Marin, D Maynau The Journal of chemical physics 137 (10), 104102, 2012 | 29 | 2012 |
Electronic spectroscopy of HRe (CO) 5: a CASSCF/CASPT2 and TD-DFT study J Bossert, NB Amor, A Strich, C Daniel Chemical physics letters 342 (5), 617-624, 2001 | 29 | 2001 |
Theoretical analysis of low‐lying charge transfer states in [Ru (X)(Me)(CO) 2 (Me‐DAB)](X Cl, I; DAB 1, 4‐diaza‐1, 3‐butadiene) complexes by TDDFT and CASSCF/CASPT2 methods NB Amor, S Záliš, C Daniel International Journal of Quantum Chemistry 106 (12), 2458-2469, 2006 | 26 | 2006 |
Restoring the size consistency of multireference configuration interactions through class dressings: Applications to ground and excited states N Ben Amor, D Maynau, JP Malrieu, A Monari The Journal of chemical physics 129 (6), 064112, 2008 | 22 | 2008 |
The effect of the Basis-Set Superposition Error on the calculation of dispersion interactions: A test study on the Neon dimer A Monari, GL Bendazzoli, S Evangelisti, C Angeli, NB Amor, S Borini, ... Journal of Chemical Theory and Computation 3 (2), 477-485, 2007 | 20 | 2007 |
Approximate size‐consistent treatments of Heisenberg Hamiltonians for large systems N Guihery, NB Amor, D Maynau, JP Malrieu The Journal of chemical physics 104 (10), 3701-3708, 1996 | 20 | 1996 |
Benchmark full-CI calculation on C2H2: comparison with (SC) 2-CI and other truncated-CI approaches N Ben-Amor, S Evangelisti, D Maynau, E Rossi Chemical physics letters 288 (2-4), 348-355, 1998 | 19 | 1998 |
Assessment for the mean value total dressing method: Comparison with coupled cluster including triples methods for BF, NO+, CN+, C2, BeO, NH3, CH2, H2O, BH, HF, SiH2, Li2, LiNa … I Garcıa-Cuesta, J Sánchez-Marın, AS de Meras, NB Amor The Journal of chemical physics 107 (16), 6306-6320, 1997 | 18 | 1997 |