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Results:
1-11
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Results: 11
Authors:
Mineva, T
Russo, N
Freund, HJ
Citation: T. Mineva et al., CO interaction with small rhodium clusters from density functional theory:Spectroscopic properties and bonding analysis, J PHYS CH A, 105(47), 2001, pp. 10723-10730
Authors:
Sicilia, E
Russo, N
Mineva, T
Citation: E. Sicilia et al., Correlation between energy, polarizability, and hardness profiles in the isomerization reaction of HNO and ClNO, J PHYS CH A, 105(2), 2001, pp. 442-450
Authors:
Mineva, T
Parvanov, V
Petrov, I
Neshev, N
Russo, N
Citation: T. Mineva et al., Fukui indices from perturbed Kohn-Sham orbitals and regional softness frommayer atomic valences, J PHYS CH A, 105(10), 2001, pp. 1959-1967
Authors:
Lacaze-Dufaure, C
Mineva, T
Russo, N
Citation: C. Lacaze-dufaure et al., On the interaction of Mo and Mo-2 with NH3, C2H4, and C3H6, J COMPUT CH, 22(13), 2001, pp. 1557-1564
Authors:
Lacaze-Dufour, C
Mineva, T
Russo, N
Citation: C. Lacaze-dufour et al., Density functional study of the structural, electronic, and magnetic properties of neutral and charged rhodium clusters up to tetramer, INT J QUANT, 85(3), 2001, pp. 162-170
Authors:
Russo, N
Toscano, M
Grand, A
Mineva, T
Citation: N. Russo et al., Proton affinity and protonation sites of aniline. Energetic behavior and density functional reactivity indices, J PHYS CH A, 104(17), 2000, pp. 4017-4021
Authors:
Mineva, T
Neshev, I
Russo, I
Sitsilina, E
Citation: T. Mineva et al., Structure and properties of Mo-2, Mo-3, Mo-4 clusters studied by the functional compactness method, IAN FIZ, 64(8), 2000, pp. 1563-1567
Authors:
De Luca, G
Marino, T
Mineva, T
Russo, N
Toscano, M
Citation: G. De Luca et al., Conformational behaviour of 1,4-dihydronicotinamide and protonated nicotinamide in vacuo and in solvent: a density functional study, J MOL ST-TH, 501, 2000, pp. 215-220
Authors:
Marino, T
Russo, N
Sicilia, E
Toscano, M
Mineva, T
Citation: T. Marino et al., Density functional computations and mass spectrometric measurements. Can this coupling enlarge the knowledge of gas-phase chemistry, ADV QUANT C, 36, 2000, pp. 93-120
Authors:
Mineva, T
Russo, N
Toscano, M
Citation: T. Mineva et al., Odd-even alternation of global hardnesses in the Na-n (n=2-9) clusters, INT J QUANT, 80(2), 2000, pp. 105-109
Authors:
Mineva, T
Russo, N
Sicilia, E
Toscano, M
Citation: T. Mineva et al., Gas-phase properties and Fukui indices of sulfine (CH2SO). Potential energy surface and maximum hardness principle for its protonation process. A density functional study, THEOR CH AC, 101(6), 1999, pp. 388-395
Risultati:
1-11
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