Sfoglia per Autore
Mostrati risultati da 1 a 19 di 19
A Davidson technique for the computation of dispersion constants: Full CI results for Be and Li
2004 G.L. Bendazzoli; A.Monari
Frozen-core full-CI calculation of imaginary frequency-dependent dipole polarizabilities of ground state BeH2 and the dispersion coefficients of its homodimer
2005 G.L. Bendazzoli; A. Monari; G. Figari; M. Rui; C. Costa; V. Magnasco
The effect of the basis set superposition error on the calculation of dispersion interactions: a test study on the neon dimer
2007 A. Monari; G.L. Bendazzoli; S. Evangelisti; C. Angeli; N. Ben Amor; S. Borini; D. Maynau; E. Rossi
The problem of interoperability: a common data format for quantum chemistry codes
2007 C. Angeli; G.L. Bendazzoli; S. Borini; R. Cimiraglia; A. Emerson; S. Evangelisti; D. Maynau; A. Monari; E. Rossi; J. Sanchez-Marin; P.G. Szalay
FORTRAN interface for code interoperability in Quantum Chemistry: the Q5Cost library
2007 S. Borini; A. Monari; E. Rossi; A. Tajiti; C. Angeli; G.L. Bendazzoli; R. Cimiraglia; A. Emerson; S. Evangelisti; D. Maynau; J. Sanchez-Marin; P.G. Szalay
Full configuration interaction study of the metal-insulator transition in model systems: LiN linear chains (N=2,4,6,8)
2008 V. Vetere; A. Monari; G.L. Bendazzoli; S. Evangelisti; B. Paulus
Full Configuration interaction study of the metal-insulator transition in model systems
2008 G.L. Bendazzoli; S. Evangelisti; A. Monari; B. Paulus; V. Vetere
On the metal-insulator transition in dimerized linear Hueckel chains
2008 A.Monari; G.L. Bendazzoli; S. Evangelisti
End states and singlet triplet degeneracy in linear atomic chains
2008 A. Monari; V. Vetere; G.L. Bendazzoli; S.Evangelisti; B. Paulus
Full Configuration Interaction Study on the Tetrahedral Li4 Cluster
2008 A. Monari; J. Pitarch-Ruiz; G.L. Bendazzoli; S. Evangelisti; J. Sanchez-Marin
On the calculation of High-Spin states in the Full Configuration Interaction formalism
2008 G.L. Bendazzoli; B. Deguilhem; S. Evangelisti; F.X. Gadea; T. Leininger; A. Monari
CI calculations of long-range C6 dispersion coefficients for BH-BH
2008 G.L. Bendazzoli; A. Monari; G. Figari; M. Rui; C. Costa; V. Magnasco
Theoretical study of Be linear chains: optimized geometries and harmonic frequencies
2009 A. Monari; G.L. Bendazzoli; S. Evangelisti
A numerical method for computing dispersion constants
2009 G.L. Bendazzoli; A. Monari; S. Evangelisti
A theoretical study of linear beryllium chains: Full configuration interaction
2009 V. Vetere; A. Monari; A. Scemama; G.L. Bendazzoli; S. Evangelisti
A theoretical study of Be_N linear chains: variational and perturbative approaches
2009 M. Pastore; A. Monari; C. Angeli; G.L. Bendazzoli; R. Cimiraglia; S. Evangelisti
High-spin states in tetrahedral X4 clusters (X = H, Li, Na, K)
2010 A. Monari; J. Pitarch-Ruiz; G.L. Bendazzoli; S. Evangelisti; J. Sanchez-Marìn
Theoretical study of the absorption spectrum of a photoisomerizable iron complex
2012 Zanna, Nicola; Monari, Antonio; Assfeld, Xavier
The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone
2018 Zvereva Elena, Segarra-Marti Javier, Marazzi Marco, Brazard Johanna, Nenov Artur, Weingart Oliver, Leonard Jeremie, Garavelli Marco, Rivalta Ivan, Dumont Elise, Assfeld Xavier, Haacke Stefan, Monari Antonio
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| A Davidson technique for the computation of dispersion constants: Full CI results for Be and Li | G.L. Bendazzoli; A.Monari | 2004-01-01 | CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| Frozen-core full-CI calculation of imaginary frequency-dependent dipole polarizabilities of ground state BeH2 and the dispersion coefficients of its homodimer | G.L. Bendazzoli; A. Monari; G. Figari; M. Rui; C. Costa; V. Magnasco | 2005-01-01 | CHEMICAL PHYSICS LETTERS | - | 1.01 Articolo in rivista | - |
| The effect of the basis set superposition error on the calculation of dispersion interactions: a test study on the neon dimer | A. Monari; G.L. Bendazzoli; S. Evangelisti; C. Angeli; N. Ben Amor; S. Borini; D. Maynau; E. Rossi | 2007-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
| The problem of interoperability: a common data format for quantum chemistry codes | C. Angeli; G.L. Bendazzoli; S. Borini; R. Cimiraglia; A. Emerson; S. Evangelisti; D. Maynau; A. M...onari; E. Rossi; J. Sanchez-Marin; P.G. Szalay | 2007-01-01 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | - | 1.01 Articolo in rivista | - |
| FORTRAN interface for code interoperability in Quantum Chemistry: the Q5Cost library | S. Borini; A. Monari; E. Rossi; A. Tajiti; C. Angeli; G.L. Bendazzoli; R. Cimiraglia; A. Emerson;... S. Evangelisti; D. Maynau; J. Sanchez-Marin; P.G. Szalay | 2007-01-01 | JOURNAL OF CHEMICAL INFORMATION AND MODELING | - | 1.01 Articolo in rivista | - |
| Full configuration interaction study of the metal-insulator transition in model systems: LiN linear chains (N=2,4,6,8) | V. Vetere; A. Monari; G.L. Bendazzoli; S. Evangelisti; B. Paulus | 2008-01-01 | THE JOURNAL OF CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| Full Configuration interaction study of the metal-insulator transition in model systems | G.L. Bendazzoli; S. Evangelisti; A. Monari; B. Paulus; V. Vetere | 2008-01-01 | JOURNAL OF PHYSICS. CONFERENCE SERIES | - | 1.01 Articolo in rivista | - |
| On the metal-insulator transition in dimerized linear Hueckel chains | A.Monari; G.L. Bendazzoli; S. Evangelisti | 2008-01-01 | THE JOURNAL OF CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| End states and singlet triplet degeneracy in linear atomic chains | A. Monari; V. Vetere; G.L. Bendazzoli; S.Evangelisti; B. Paulus | 2008-01-01 | CHEMICAL PHYSICS LETTERS | - | 1.01 Articolo in rivista | - |
| Full Configuration Interaction Study on the Tetrahedral Li4 Cluster | A. Monari; J. Pitarch-Ruiz; G.L. Bendazzoli; S. Evangelisti; J. Sanchez-Marin | 2008-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
| On the calculation of High-Spin states in the Full Configuration Interaction formalism | G.L. Bendazzoli; B. Deguilhem; S. Evangelisti; F.X. Gadea; T. Leininger; A. Monari | 2008-01-01 | CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| CI calculations of long-range C6 dispersion coefficients for BH-BH | G.L. Bendazzoli; A. Monari; G. Figari; M. Rui; C. Costa; V. Magnasco | 2008-01-01 | CHEMICAL PHYSICS LETTERS | - | 1.01 Articolo in rivista | - |
| Theoretical study of Be linear chains: optimized geometries and harmonic frequencies | A. Monari; G.L. Bendazzoli; S. Evangelisti | 2009-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
| A numerical method for computing dispersion constants | G.L. Bendazzoli; A. Monari; S. Evangelisti | 2009-01-01 | THEORETICAL CHEMISTRY ACCOUNTS | - | 1.01 Articolo in rivista | - |
| A theoretical study of linear beryllium chains: Full configuration interaction | V. Vetere; A. Monari; A. Scemama; G.L. Bendazzoli; S. Evangelisti | 2009-01-01 | THE JOURNAL OF CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| A theoretical study of Be_N linear chains: variational and perturbative approaches | M. Pastore; A. Monari; C. Angeli; G.L. Bendazzoli; R. Cimiraglia; S. Evangelisti | 2009-01-01 | THE JOURNAL OF CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| High-spin states in tetrahedral X4 clusters (X = H, Li, Na, K) | A. Monari; J. Pitarch-Ruiz; G.L. Bendazzoli; S. Evangelisti; J. Sanchez-Marìn | 2010-01-01 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | - | 1.01 Articolo in rivista | - |
| Theoretical study of the absorption spectrum of a photoisomerizable iron complex | Zanna, Nicola; Monari, Antonio; Assfeld, Xavier | 2012-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY | - | 1.01 Articolo in rivista | - |
| The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone | Zvereva Elena, Segarra-Marti Javier, Marazzi Marco, Brazard Johanna, Nenov Artur, Weingart Oliver..., Leonard Jeremie, Garavelli Marco, Rivalta Ivan, Dumont Elise, Assfeld Xavier, Haacke Stefan, Monari Antonio | 2018-01-01 | PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES | - | 1.01 Articolo in rivista | - |
Mostrati risultati da 1 a 19 di 19
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