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Cammi, Roberto, Verdolino, Vincenzo, Mennucci, Benedetta, Tomasi, Jacopo (2008) Towards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure. Chemical Physics, 344. 135-141 doi:10.1016/j.chemphys.2007.12.010

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Reference TypeJournal (article/letter/editorial)
TitleTowards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure
JournalChemical Physics
AuthorsCammi, RobertoAuthor
Verdolino, VincenzoAuthor
Mennucci, BenedettaAuthor
Tomasi, JacopoAuthor
Year2008 (February)Volume344
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.12.010Search in ResearchGate
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Mindat Ref. ID5961433Long-form Identifiermindat:1:5:5961433:7
GUID0
Full ReferenceCammi, Roberto, Verdolino, Vincenzo, Mennucci, Benedetta, Tomasi, Jacopo (2008) Towards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure. Chemical Physics, 344. 135-141 doi:10.1016/j.chemphys.2007.12.010
Plain TextCammi, Roberto, Verdolino, Vincenzo, Mennucci, Benedetta, Tomasi, Jacopo (2008) Towards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure. Chemical Physics, 344. 135-141 doi:10.1016/j.chemphys.2007.12.010
In(n.d.) Chemical Physics Vol. 344. Elsevier BV

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Tomasi, Jacopo, Mennucci, Benedetta, Cammi, Roberto (2005) Quantum Mechanical Continuum Solvation Models. Chemical Reviews, 105 (8) 2999-3094 doi:10.1021/cr9904009
Tomasi, Jacopo, Cammi, Roberto, Mennucci, Benedetta, Cappelli, Chiara, Corni, Stefano (2002) Molecular properties in solution described with a continuum solvation model. Physical Chemistry Chemical Physics, 4 (23). 5697-5712 doi:10.1039/b207281p
Cappelli, Chiara, Mennucci, Benedetta, Tomasi, Jacopo, Cammi, Roberto, Rizzo, Antonio (2001) The Cottonā€“Mouton effect of gaseous N2, CO, CO2, N2O, OCS and CS2: a density functional approach to high-order mixed electric and magnetic properties. Chemical Physics Letters, 346. 251-258 doi:10.1016/s0009-2614(01)00932-0
Cammi, Roberto, Mennucci, Benedetta, Tomasi, Jacopo (1999) Nuclear magnetic shieldings in solution: Gauge invariant atomic orbital calculation using the polarizable continuum model. The Journal of Chemical Physics, 110 (16). 7627-7638 doi:10.1063/1.478674
Mennucci, Benedetta, Tomasi, Jacopo, Cammi, Roberto (2004) Excitonic splitting in conjugated molecular materials:ā€ƒA quantum mechanical model including interchain interactions and dielectric effects. Physical Review B, 70 (20) doi:10.1103/physrevb.70.205212
Cammi, Roberto, Cossi, Maurizio, Mennucci, Benedetta, Tomasi, Jacopo (1996) Analytical Hartreeā€“Fock calculation of the dynamical polarizabilities Ī±, Ī², and Ī³ of molecules in solution. The Journal of Chemical Physics, 105 (23). 10556-10564 doi:10.1063/1.472771
Iozzi, Maria Francesca, Mennucci, Benedetta, Tomasi, Jacopo, Cammi, Roberto (2004) Excitation energy transfer (EET) between molecules in condensed matter: A novel application of the polarizable continuum model (PCM). The Journal of Chemical Physics, 120 (15). 7029-7040 doi:10.1063/1.1669389
Scalmani, Giovanni, Frisch, Michael J., Mennucci, Benedetta, Tomasi, Jacopo, Cammi, Roberto, Barone, Vincenzo (2006) Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model. The Journal of Chemical Physics, 124 (9). 94107pp. doi:10.1063/1.2173258
Cammi, Roberto, Cossi, Maurizio, Mennucci, Benedetta, Tomasi, Jacopo (1997) Solvent effects on static and dynamic polarizability and hyperpolarizabilities of acetonitrile. Journal of Molecular Structure, 436. 567-575 doi:10.1016/s0022-2860(97)00209-3
Cammi, Roberto, Mennucci, Benedetta, Tomasi, Jacopo (2000) An Attempt To Bridge the Gap between Computation and Experiment for Nonlinear Optical Properties:Ā  Macroscopic Susceptibilities in Solutionā€ . The Journal of Physical Chemistry A, 104 (20). 4690-4698 doi:10.1021/jp994163p
Cappelli, Chiara, Corni, Stefano, Cammi, Roberto, Mennucci, Benedetta, Tomasi, Jacopo (2000) Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model. The Journal of Chemical Physics, 113 (24). 11270-11279 doi:10.1063/1.1328070
 
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