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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

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Reference TypeJournal (article/letter/editorial)
TitleComparing polarizable force fields to ab initio calculations reveals nonclassical effects in condensed phases
JournalThe Journal of Chemical Physics
AuthorsChelli, RiccardoAuthor
Schettino, VincenzoAuthor
Procacci, PieroAuthor
Year2005 (June 15)Volume122
Issue23
PublisherAIP Publishing
DOIdoi:10.1063/1.1931653Search in ResearchGate
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Mindat Ref. ID2294881Long-form Identifiermindat:1:5:2294881:2
GUID0
Full ReferenceChelli, 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
Plain TextChelli, 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
In(2005, June) The Journal of Chemical Physics Vol. 122 (23) AIP Publishing

See Also

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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, 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, Barducci, Alessandro, Bellucci, Luca, Schettino, Vincenzo, Procacci, Piero (2005) Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systems. The Journal of Chemical Physics, 123 (19). 194109pp. doi:10.1063/1.2110107
Marsili, Simone, Chelli, Riccardo, Schettino, Vincenzo, Procacci, Piero (2008) Thermodynamics of stacking interactions in proteins. Physical Chemistry Chemical Physics, 10 (19). 2673pp. doi:10.1039/b718519g
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
Chelli, Riccardo, Gervasio, Francesco Luigi, Procacci, Piero, Schettino, Vincenzo (2002) Stacking and T-shape Competition in Aromatic−Aromatic Amino Acid Interactions. Journal Of The American Chemical Society, 124 (21) 6133-6143 doi:10.1021/ja0121639
Marsili, Simone, Barducci, Alessandro, Chelli, Riccardo, Procacci, Piero, Schettino, Vincenzo (2006) Self-healing Umbrella Sampling:  A Non-equilibrium Approach for Quantitative Free Energy Calculations. The Journal of Physical Chemistry B, 110 (29). 14011-14013 doi:10.1021/jp062755j
Signorini, Giorgio F., Chelli, Riccardo, Procacci, Piero, Schettino, Vincenzo (2004) Energetic Fitness of Histidine Protonation States in PDB Structures. The Journal of Physical Chemistry B, 108 (32). 12252-12257 doi:10.1021/jp047716r
Piquemal, Jean-Philip, Chelli, Riccardo, Procacci, Piero, Gresh, Nohad (2007) Key Role of the Polarization Anisotropy of Water in Modeling Classical Polarizable Force Fields. The Journal of Physical Chemistry A, 111 (33). 8170-8176 doi:10.1021/jp072687g
Gervasio, Francesco Luigi, Chelli, Riccardo, Procacci, Piero, Schettino, Vincenzo (2002) Is the T-Shaped Toluene Dimer a Stable Intermolecular Complex?. The Journal of Physical Chemistry A, 106 (12). 2945-2948 doi:10.1021/jp0137975
Chelli, Riccardo, Gervasio, Francesco L., Gellini, Cristina, Procacci, Piero, Cardini, Gianni, Schettino, Vincenzo (2000) Conformational Distribution of Gas-phase Glycerol. The Journal of Physical Chemistry A, 104 (47). 11220-11222 doi:10.1021/jp002677e
 
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