| Recent advances in the description of solvent effects with the polarizable continuum model C Amovilli, V Barone, R Cammi, E Cancès, M Cossi, B Mennucci, ... Advances in Quantum Chemistry 32, 227-261, 1998 | 535 | 1998 |
| Self-consistent-field calculation of Pauli repulsion and dispersion contributions to the solvation free energy in the polarizable continuum model C Amovilli, B Mennucci The Journal of Physical Chemistry B 101 (6), 1051-1057, 1997 | 324 | 1997 |
| Quantum information: Jaynes and Shannon entropies in a two-electron entangled artificial atom C Amovilli, NH March Physical Review A—Atomic, Molecular, and Optical Physics 69 (5), 054302, 2004 | 102 | 2004 |
| MCSCF study of the SN2 Menshutkin reaction in aqueous solution within the polarizable continuum model C Amovilli, B Mennucci, FM Floris The Journal of Physical Chemistry B 102 (16), 3023-3028, 1998 | 83 | 1998 |
| Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4-n-pentyl-4′- cyanobiphenyl (5CB) dimer C Amovilli, I Cacelli, S Campanile, G Prampolini The Journal of chemical physics 117 (7), 3003-3012, 2002 | 81 | 2002 |
| Effective potential in density matrix functional theory A Nagy, C Amovilli The Journal of chemical physics 121 (14), 6640-6648, 2004 | 64 | 2004 |
| Exact density matrix for a two-electron model atom and approximate proposals for realistic two-electron systems C Amovilli, NH March Physical Review A 67 (2), 022509, 2003 | 49 | 2003 |
| Calculation of the dispersion energy contribution to the solvation free energy C Amovilli Chemical physics letters 229 (3), 244-249, 1994 | 47 | 1994 |
| Electronic energy spectrum of two-dimensional solids and a chain of C atoms from a quantum network model C Amovilli, FE Leys, NH March Journal of mathematical chemistry 36, 93-112, 2004 | 44 | 2004 |
| On the effect of Pauli repulsion and dispersion on static molecular polarizabilities and hyperpolarizabilities in solution B Mennucci, C Amovilli, J Tomasi Chemical physics letters 286 (3-4), 221-225, 1998 | 44 | 1998 |
| Size-extensive wave functions for quantum Monte Carlo: A linear scaling generalized valence bond approach F Fracchia, C Filippi, C Amovilli Journal of chemical theory and computation 8 (6), 1943-1951, 2012 | 43 | 2012 |
| Introducing QMC/MMpol: Quantum Monte Carlo in polarizable force fields for excited states R Guareschi, H Zulfikri, C Daday, FM Floris, C Amovilli, B Mennucci, ... Journal of chemical theory and computation 12 (4), 1674-1683, 2016 | 38 | 2016 |
| A matrix partitioning approach to the calculation of intermolecular potentials. General theory and some examples C Amovilli, R McWeeny Chemical physics 140 (3), 343-361, 1990 | 38 | 1990 |
| Shape and similarity: Two aspects of molecular recognition C Amovilli, R McWeeny Journal of Molecular Structure: THEOCHEM 227, 1-9, 1991 | 35 | 1991 |
| Electronic excitations in nonpolar solvents: Can the polarizable continuum model accurately reproduce solvent effects? L Cupellini, C Amovilli, B Mennucci The Journal of Physical Chemistry B 119 (29), 8984-8991, 2015 | 27 | 2015 |
| Structure and dynamics of mesogens using intermolecular potentials derived from ab initio calculations C Amovilli, I Cacelli, G Cinacchi, L De Gaetani, G Prampolini, A Tani Theoretical Chemistry Accounts 117, 885-901, 2007 | 27 | 2007 |
| Topology, Connectivity, and Electronic Structure of C and B Cages and the Corresponding Nanotubes FE Leys, C Amovilli, NH March Journal of chemical information and computer sciences 44 (1), 122-135, 2004 | 25 | 2004 |
| Study of dispersion forces with quantum Monte Carlo: Toward a continuum model for solvation C Amovilli, FM Floris The Journal of Physical Chemistry A 119 (21), 5327-5334, 2015 | 22 | 2015 |
| Use of ab initio methods to classify four existing energy density functionals according to their possible variational validity C Amovilli, NH March, F Bogár, T Gál Physics Letters A 373 (35), 3158-3160, 2009 | 22 | 2009 |
| Solubility of water in liquid hydrocarbons: a bridge between the polarizable continuum model and the mobile order theory C Amovilli, FM Floris Physical Chemistry Chemical Physics 5 (2), 363-368, 2003 | 21 | 2003 |
Benedetta MennucciDepartment of Chemistry, University of PisaVerified email at dcci.unipi.it