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Results: 1-25/31
Authors:
Ciofini, I
Adamo, C
Citation: I. Ciofini et C. Adamo, Intrinsic and environmental effects on the kinetic and thermodynamics of linkage isomerization in nitritopentaamminecobalt(III) complex, J PHYS CH A, 105(6), 2001, pp. 1086-1092
Modeling polymerization reactions at aluminum-based catalysts: Is DFT a reliable computational tool?
Authors:
Talarico, G
Barone, V
Budzelaar, PHM
Adamo, C
Citation: G. Talarico et al., Modeling polymerization reactions at aluminum-based catalysts: Is DFT a reliable computational tool?, J PHYS CH A, 105(39), 2001, pp. 9014-9023
Authors:
Adamo, C
Vescio, G
Battaglia, M
Gallelli, G
Musella, S
Citation: C. Adamo et al., Madelung's disease: Case report and discussion of treatment options, ANN PL SURG, 46(1), 2001, pp. 43-45
Authors:
Adamo, C
Heitzmann, M
Meilleur, F
Rega, N
Scalmani, G
Grand, A
Cadet, J
Barone, V
Citation: C. Adamo et al., Interplay of intrinsic and environmental effects on the magnetic properties of free radicals issuing from H-atom addition to cytosine, J AM CHEM S, 123(29), 2001, pp. 7113-7117
Authors:
Dietrich, S
Bechini, R
Adamo, C
Mugnai, A
Prodi, F
Citation: S. Dietrich et al., Radar calibration of physical profile-based precipitation retrieval from passive microwave sensors, PHYS CH P B, 25(10-12), 2000, pp. 877-882
Authors:
Aquilanti, V
Capecchi, G
Cavalli, S
Adamo, C
Barone, V
Citation: V. Aquilanti et al., Representation of potential energy surfaces by discrete polynomials: proton transfer in malonaldehyde, PHYS CHEM P, 2(18), 2000, pp. 4095-4103
Authors:
Adamo, C
Barone, V
Citation: C. Adamo et V. Barone, Inexpensive and accurate predictions of optical excitations in transition-metal complexes: the TDDFT/PBE0 route, THEOR CH AC, 105(2), 2000, pp. 169-172
Authors:
Adamo, C
Barone, V
Citation: C. Adamo et V. Barone, Preface to XXV ChiTEI issue - Preface, THEOR CH AC, 104(3-4), 2000, pp. 173-173
Authors:
Adamo, C
Barone, V
Subra, R
Citation: C. Adamo et al., The mechanism of spin polarization in aromatic free radicals, THEOR CH AC, 104(3-4), 2000, pp. 207-209
Authors:
Adamo, C
Barone, V
Citation: C. Adamo et V. Barone, Structures and properties of lanthanide and actinide complexes by a new density functional approach: Lanthanum, gadolinium, lutetium, and thorium halides as case studies, J COMPUT CH, 21(13), 2000, pp. 1153-1166
Authors:
Adamo, C
di Matteo, A
Barone, V
Citation: C. Adamo et al., From classical density functionals to adiabatic connection methods. The state of the art., ADV QUANT C, 36, 2000, pp. 45-75
Authors:
Adamo, C
Ernzerhof, M
Scuseria, GE
Citation: C. Adamo et al., The meta-GGA functional: Thermochemistry with a kinetic energy density dependent exchange-correlation functional, J CHEM PHYS, 112(6), 2000, pp. 2643-2649
Authors:
Adamo, C
Barone, V
Citation: C. Adamo et V. Barone, A TDDFT study of the electronic spectrum of s-tetrazine in the gas-phase and in aqueous solution, CHEM P LETT, 330(1-2), 2000, pp. 152-160
Authors:
Talarico, G
Budzelaar, PHM
Barone, V
Adamo, C
Citation: G. Talarico et al., A theoretical study of the competition between ethylene insertion and chain transfer in cationic aluminum systems, CHEM P LETT, 329(1-2), 2000, pp. 99-105
Authors:
Vetere, V
Adamo, C
Maldivi, P
Citation: V. Vetere et al., Performance of the 'parameter free' PBE0 functional for the modeling of molecular properties of heavy metals, CHEM P LETT, 325(1-3), 2000, pp. 99-105
Authors:
Arnaud, R
Adamo, C
Cossi, M
Milet, A
Vallee, Y
Barone, V
Citation: R. Arnaud et al., Theoretical study of the addition of hydrogen cyanide to methanimine in the gas phase and in aqueous solution, J AM CHEM S, 122(2), 2000, pp. 324-330
Authors:
Adamo, C
Arnaud, R
Scalmani, G
Muller, H
Sahli, F
Barone, V
Citation: C. Adamo et al., Theoretical study of a new building block for organic conductors: Tetrathiapentalene and its radical cation, J PHYS CH B, 103(33), 1999, pp. 6863-6869
Authors:
Adamo, C
Maldivi, P
Citation: C. Adamo et P. Maldivi, Reply to the Comment "A theoretical study of bonding in lanthanide trihalides by density functional methods" by M. Hargittai, J PHYS CH A, 103(37), 1999, pp. 7554-7554
Authors:
Adamo, C
di Matteo, A
Rey, P
Barone, V
Citation: C. Adamo et al., Tuning of structural and magnetic properties of nitronyl nitroxides by theenvironment. A combined experimental and computational study, J PHYS CH A, 103(18), 1999, pp. 3481-3488
Authors:
Adamo, C
Cossi, M
Barone, V
Citation: C. Adamo et al., An accurate density functional method for the study of magnetic properties: the PBE0 model, J MOL ST-TH, 493, 1999, pp. 145-157
Accurate excitation energies from time-dependent density functional theory: Assessing the PBE0 model
Authors:
Adamo, C
Scuseria, GE
Barone, V
Citation: C. Adamo et al., Accurate excitation energies from time-dependent density functional theory: Assessing the PBE0 model, J CHEM PHYS, 111(7), 1999, pp. 2889-2899
Authors:
Adamo, C
Barone, V
Citation: C. Adamo et V. Barone, Toward reliable density functional methods without adjustable parameters: The PBE0 model, J CHEM PHYS, 110(13), 1999, pp. 6158-6170
Authors:
Adamo, C
Barone, V
Bencini, A
Totti, F
Ciofini, I
Citation: C. Adamo et al., On the calculation and modeling of magnetic exchange interactions in weakly bonded systems: The case of the ferromagnetic copper(II) mu(2)-azido bridged complexes, INORG CHEM, 38(9), 1999, pp. 1996-2004
Authors:
Adamo, C
Barone, V
Citation: C. Adamo et V. Barone, Accurate excitation energies from time-dependent density functional theory: assessing the PBE0 model for organic free radicals, CHEM P LETT, 314(1-2), 1999, pp. 152-157
Authors:
Bienati, M
Adamo, C
Barone, V
Citation: M. Bienati et al., Performance of a new hybrid Hartree-Fock/Kohn-Sham model (B98) in predicting vibrational frequencies, polarisabilities and NMR chemical shifts, CHEM P LETT, 311(1-2), 1999, pp. 69-76