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Chelli, Riccardo, Procacci, Piero (2002) A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle. The Journal of Chemical Physics, 117 (20). 9175-9189 doi:10.1063/1.1515773

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Reference TypeJournal (article/letter/editorial)
TitleA transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle
JournalThe Journal of Chemical Physics
AuthorsChelli, RiccardoAuthor
Procacci, PieroAuthor
Year2002 (November 22)Volume117
Issue20
PublisherAIP Publishing
DOIdoi:10.1063/1.1515773Search in ResearchGate
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Mindat Ref. ID2272562Long-form Identifiermindat:1:5:2272562:8
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Full ReferenceChelli, Riccardo, Procacci, Piero (2002) A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle. The Journal of Chemical Physics, 117 (20). 9175-9189 doi:10.1063/1.1515773
Plain TextChelli, Riccardo, Procacci, Piero (2002) A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle. The Journal of Chemical Physics, 117 (20). 9175-9189 doi:10.1063/1.1515773
In(2002, November) The Journal of Chemical Physics Vol. 117 (20) AIP Publishing

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Chelli, Riccardo, Procacci, Piero (2003) Comment on “Classical polarizable force fields parametrized from ab initio calculations” [J. Chem. Phys. 117, 1416 (2002)]. The Journal of Chemical Physics, 118 (3). 1571-1572 doi:10.1063/1.1530164
Chelli, Riccardo, Procacci, Piero, Righini, Roberto, Califano, Salvatore (1999) Electrical response in chemical potential equalization schemes. The Journal of Chemical Physics, 111 (18). 8569-8575 doi:10.1063/1.480198
Chelli, Riccardo, Ciabatti, Sonia, Cardini, Gianni, Righini, Roberto, Procacci, Piero (1999) Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method. The Journal of Chemical Physics, 111 (9). 4218-4229 doi:10.1063/1.479720
Chelli, Riccardo, Schettino, Vincenzo, Procacci, Piero (2005) Comparing polarizable force fields to ab initio calculations reveals nonclassical effects in condensed phases. The Journal of Chemical Physics, 122 (23). 234107pp. doi:10.1063/1.1931653
Chelli, Riccardo, Procacci, Piero (2009) A potential of mean force estimator based on nonequilibrium work exponential averages. Physical Chemistry Chemical Physics, 11 (8). 1152pp. doi:10.1039/b810914c
Chelli, Riccardo, Pagliai, Marco, Procacci, Piero, Cardini, Gianni, Schettino, Vincenzo (2005) Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer. The Journal of Chemical Physics, 122 (7). 74504pp. doi:10.1063/1.1851504
Chelli, Riccardo, Ciabatti, Sonia, Cardini, Gianni, Righini, Roberto, Procacci, Piero (2000) Erratum: “Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method” [J. Chem. Phys. 111, 4218 (1999)]. The Journal of Chemical Physics, 112 (12). 5515 doi:10.1063/1.481118
Chelli, Riccardo, Cardini, Gianni, Procacci, Piero, Righini, Roberto, Califano, Salvatore (2002) Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine. The Journal of Chemical Physics, 116 (14). 6205-6215 doi:10.1063/1.1454993
Procacci, Piero, Marsili, Simone, Barducci, Alessandro, Signorini, Giorgio F., Chelli, Riccardo (2006) Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat. The Journal of Chemical Physics, 125 (16). 164101pp. doi:10.1063/1.2360273
Chelli, Riccardo, Marsili, Simone, Barducci, Alessandro, Procacci, Piero (2007) Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: A strategy based on the equations of motion. The Journal of Chemical Physics, 126 (4). 44502pp. doi:10.1063/1.2424940
Chelli, Riccardo, Marsili, Simone, Barducci, Alessandro, Procacci, Piero (2007) Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulations. The Journal of Chemical Physics, 127 (3). 34110pp. doi:10.1063/1.2749257
 
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