| Year |
Citation |
Score |
| 2020 |
Rahm M, Ångqvist M, Rahm JM, Erhart P, Cammi R. Non-bonded Radii of the Atoms Under Compression. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32896974 DOI: 10.1002/Cphc.202000624 |
0.314 |
|
| 2020 |
Cammi R, Rahm M, Hoffmann R, Ashcroft NW. Varying electronic configurations in compressed atoms: from the role of the spatial extension of atomic orbitals to the change of electronic configuration as an isobaric transformation. Journal of Chemical Theory and Computation. PMID 32551592 DOI: 10.1021/Acs.Jctc.0C00443 |
0.337 |
|
| 2020 |
Guido CA, Rosa M, Cammi R, Corni S. An open quantum system theory for polarizable continuum models. The Journal of Chemical Physics. 152: 174114. PMID 32384839 DOI: 10.1063/5.0003523 |
0.425 |
|
| 2019 |
Rosa M, Gil G, Corni S, Cammi R. Quantum optimal control theory for solvated systems. The Journal of Chemical Physics. 151: 194109. PMID 31757146 DOI: 10.1063/1.5125184 |
0.383 |
|
| 2019 |
Cammi R. The Role of Computational Chemistry in the Experimental Determination of the Dipole Moment of Molecules in Solution. Journal of Computational Chemistry. PMID 31246287 DOI: 10.1002/Jcc.26009 |
0.462 |
|
| 2019 |
Rahm M, Cammi R, Ashcroft NW, Hoffmann R. Squeezing all Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression. Journal of the American Chemical Society. PMID 31144505 DOI: 10.1021/Jacs.9B02634 |
0.312 |
|
| 2019 |
Cammi R. Linear chains of hydrogen molecules under pressure: An extreme-pressure continuum model study. The Journal of Chemical Physics. 150: 164122. PMID 31042923 DOI: 10.1063/1.5075511 |
0.337 |
|
| 2018 |
Cammi R, Chen B, Rahm M. Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model. Journal of Computational Chemistry. PMID 30242867 DOI: 10.1002/Jcc.25544 |
0.335 |
|
| 2017 |
Caratelli C, Cammi R, Chelli R, Pagliai M, Cardini G, Schettino V. Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model Calculations. The Journal of Physical Chemistry. A. 121: 8825-8834. PMID 29083904 DOI: 10.1021/Acs.Jpca.7B08868 |
0.36 |
|
| 2017 |
Chen B, Hoffmann R, Cammi R. The Effect of Pressure on Organic Reactions in Fluids-a New Theoretical Perspective. Angewandte Chemie (International Ed. in English). PMID 28738450 DOI: 10.1002/Anie.201705427 |
0.32 |
|
| 2017 |
Pipolo S, Corni S, Cammi R. Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI. The Journal of Chemical Physics. 146: 064116. PMID 28201884 DOI: 10.1063/1.4975620 |
0.442 |
|
| 2017 |
Cammi R. The Quantum Chemical Study of Chemical Reactions at Extreme High Pressure by Means of the Extreme-Pressure Polarizable Continuum Model Annual Reports in Computational Chemistry. 13: 117-135. DOI: 10.1016/Bs.Arcc.2017.06.001 |
0.332 |
|
| 2016 |
Pagliai M, Cammi R, Cardini G, Schettino V. XP-PCM Calculations of High Pressure Structural and Vibrational Properties of P4S3. The Journal of Physical Chemistry. A. 120: 5136-44. PMID 26943701 DOI: 10.1021/Acs.Jpca.6B00590 |
0.302 |
|
| 2015 |
Fukuda R, Ehara M, Cammi R. Modeling Molecular Systems at Extreme Pressure by an Extension of the Polarizable Continuum Model (PCM) Based on the Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method: Confined Electronic Excited States of Furan as a Test Case. Journal of Chemical Theory and Computation. 11: 2063-76. PMID 26574410 DOI: 10.1021/Ct5011517 |
0.383 |
|
| 2015 |
Cammi R. A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressure. Journal of Computational Chemistry. 36: 2246-59. PMID 26487387 DOI: 10.1002/Jcc.24206 |
0.342 |
|
| 2015 |
Corni S, Pipolo S, Cammi R. Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: application to real-time TDDFT. The Journal of Physical Chemistry. A. 119: 5405-16. PMID 25485456 DOI: 10.1021/Jp5106828 |
0.398 |
|
| 2014 |
Pagliai M, Cardini G, Cammi R. Vibrational frequencies of fullerenes C60 and C70 under pressure studied with a quantum chemical model including spatial confinement effects. The Journal of Physical Chemistry. A. 118: 5098-111. PMID 24937194 DOI: 10.1021/Jp504173K |
0.354 |
|
| 2014 |
Pipolo S, Corni S, Cammi R. The cavity electromagnetic field within the polarizable continuum model of solvation. The Journal of Chemical Physics. 140: 164114. PMID 24784260 DOI: 10.1063/1.4871373 |
0.372 |
|
| 2014 |
Cammi R. The virial theorem for the Polarizable Continuum Model. Journal of Chemical Physics. 140: 84112. PMID 24588153 DOI: 10.1063/1.4866174 |
0.429 |
|
| 2014 |
Fukuda R, Ehara M, Cammi R. Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach. The Journal of Chemical Physics. 140: 064114. PMID 24527907 DOI: 10.1063/1.4864756 |
0.436 |
|
| 2014 |
Pipolo S, Corni S, Cammi R. The cavity electromagnetic field within the polarizable continuum model of solvation: An application to the real-time time dependent density functional theory Computational and Theoretical Chemistry. 1040: 112-119. DOI: 10.1016/J.Comptc.2014.02.035 |
0.425 |
|
| 2012 |
Cammi R, Cappelli C, Mennucci B, Tomasi J. Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: methodology and diborane as a test case. The Journal of Chemical Physics. 137: 154112. PMID 23083153 DOI: 10.1063/1.4757285 |
0.385 |
|
| 2012 |
Fukuda R, Chidthong R, Cammi R, Ehara M. Optical absorption and fluorescence of PRODAN in solution: Quantum chemical study based on the symmetry-adapted cluster-configuration interaction method Chemical Physics Letters. 552: 53-57. DOI: 10.1016/J.Cplett.2012.09.062 |
0.387 |
|
| 2012 |
Cammi R. Recent Advances in the Coupled-Cluster Analytical Derivatives Theory for Molecules in Solution Described With the Polarizable Continuum Model (PCM) Advances in Quantum Chemistry. 64: 1-29. DOI: 10.1016/B978-0-12-396498-4.00001-6 |
0.385 |
|
| 2012 |
Biancardi A, Cammi R, Cappelli C, Mennucci B, Tomasi J. Modelling vibrational coupling in DNA oligomers: A computational strategy combining QM and continuum solvation models Theoretical Chemistry Accounts. 131: 1-10. DOI: 10.1007/S00214-012-1157-3 |
0.361 |
|
| 2012 |
Cammi R. Coupled‐cluster theory for the polarizable continuum model. III. A response theory for molecules in solution International Journal of Quantum Chemistry. 112: 2547-2560. DOI: 10.1002/Qua.23271 |
0.452 |
|
| 2011 |
Mennucci B, Cappelli C, Cammi R, Tomasi J. Modeling solvent effects on chiroptical properties. Chirality. 23: 717-29. PMID 22135801 DOI: 10.1002/Chir.20984 |
0.436 |
|
| 2011 |
Fukuda R, Ehara M, Nakatsuji H, Cammi R. Nonequilibrium solvation for vertical photoemission and photoabsorption processes using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model. The Journal of Chemical Physics. 134: 104109. PMID 21405158 DOI: 10.1063/1.3562211 |
0.4 |
|
| 2011 |
Pipolo S, Cammi R, Rizzo A, Cappelli C, Mennucci B, Tomasi J. Cavity field effects within a polarizable continuum model of solvation: Application to the calculation of electronic circular dichroism spectra of R-(+)-3-methyl-cyclopentanone International Journal of Quantum Chemistry. 111: 826-838. DOI: 10.1002/Qua.22804 |
0.397 |
|
| 2010 |
Cammi R, Fukuda R, Ehara M, Nakatsuji H. Symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method in the polarizable continuum model: theory of the solvent effect on the electronic excitation of molecules in solution. The Journal of Chemical Physics. 133: 024104. PMID 20632745 DOI: 10.1063/1.3456540 |
0.454 |
|
| 2010 |
Biancardi A, Cappelli C, Mennucci B, Cammi R. Toward a quantum-mechanical description of 2D-IR spectra of solvated systems: The vibrational mode coupling within a polarizable continuum model Journal of Physical Chemistry B. 114: 4924-4930. DOI: 10.1021/Jp100634P |
0.398 |
|
| 2010 |
Cammi R, Cappelli C, Mennucci B, Tomasi J. Properties of excited states of molecules in solution described with continuum solvation models Practical Aspects of Computational Chemistry: Methods, Concepts and Applications. 19-36. DOI: 10.1007/978-90-481-2687-3_2 |
0.315 |
|
| 2010 |
Cammi R. Coupled‐cluster theories for the polarizable continuum model. II. Analytical gradients for excited states of molecular solutes by the equation of motion coupled‐cluster method International Journal of Quantum Chemistry. 110: 3040-3052. DOI: 10.1002/Qua.22884 |
0.427 |
|
| 2009 |
Cammi R. Quantum cluster theory for the polarizable continuum model. I. The CCSD level with analytical first and second derivatives Journal of Chemical Physics. 131: 164104. PMID 19894924 DOI: 10.1063/1.3245400 |
0.379 |
|
| 2009 |
Corozzi A, Mennucci B, Cammi R, Tomasi J. Structure versus solvent effects on nonlinear optical properties of push-pull systems: a quantum-mechanical study based on a polarizable continuum model. The Journal of Physical Chemistry. A. 113: 14774-84. PMID 19775142 DOI: 10.1021/Jp904906N |
0.406 |
|
| 2009 |
Mennucci B, Cappelli C, Guido CA, Cammi R, Tomasi J. Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory. The Journal of Physical Chemistry. A. 113: 3009-20. PMID 19226132 DOI: 10.1021/Jp8094853 |
0.463 |
|
| 2008 |
Verdolino V, Cammi R, Munk BH, Schlegel HB. Calculation of pKa values of nucleobases and the guanine oxidation products guanidinohydantoin and spiroiminodihydantoin using density functional theory and a polarizable continuum model Journal of Physical Chemistry B. 112: 16860-16873. PMID 19049279 DOI: 10.1021/Jp8068877 |
0.301 |
|
| 2008 |
Mennucci B, Caricato M, Ingrosso F, Cappelli C, Cammi R, Tomasi J, Scalmani G, Frisch MJ. How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media. The Journal of Physical Chemistry. B. 112: 414-23. PMID 18004838 DOI: 10.1021/Jp076138M |
0.419 |
|
| 2008 |
Cammi R, Verdolino V, Mennucci B, Tomasi J. 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 |
0.392 |
|
| 2007 |
Curutchet C, Scholes GD, Mennucci B, Cammi R. How solvent controls electronic energy transfer and light harvesting: toward a quantum-mechanical description of reaction field and screening effects. The Journal of Physical Chemistry. B. 111: 13253-65. PMID 17973520 DOI: 10.1021/Jp075411H |
0.363 |
|
| 2007 |
Mirkovic T, Doust AB, Kim J, Wilk KE, Curutchet C, Mennucci B, Cammi R, Curmi PM, Scholes GD. Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. 6: 964-75. PMID 17721595 DOI: 10.1039/B704962E |
0.331 |
|
| 2007 |
Scholes GD, Curutchet C, Mennucci B, Cammi R, Tomasi J. How solvent controls electronic energy transfer and light harvesting. The Journal of Physical Chemistry. B. 111: 6978-82. PMID 17550286 DOI: 10.1021/Jp072540P |
0.343 |
|
| 2007 |
Mennucci B, Cappelli C, Cammi R, Tomasi J. A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase Theoretical Chemistry Accounts. 117: 1029-1039. DOI: 10.1007/S00214-006-0221-2 |
0.442 |
|
| 2007 |
Sadlej J, Pecul M, Barone V, Cimino P, Pavone M, Cappelli C, Stephens PJ, Devlin FJ, Ruud K, Hug W, Cammi R, Mennucci B, Rizzo A, Ferrarini A, Ågren H, et al. Properties and Spectroscopies Continuum Solvation Models in Chemical Physics: From Theory to Applications. 125-312. DOI: 10.1002/9780470515235.ch2 |
0.612 |
|
| 2006 |
Curutchet C, Cammi R, Mennucci B, Corni S. Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces. The Journal of Chemical Physics. 125: 054710. PMID 16942244 DOI: 10.1063/1.2227385 |
0.454 |
|
| 2006 |
Caricato M, Mennucci B, Tomasi J, Ingrosso F, Cammi R, Corni S, Scalmani G. Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory. The Journal of Chemical Physics. 124: 124520. PMID 16599710 DOI: 10.1063/1.2183309 |
0.44 |
|
| 2006 |
Scalmani G, Frisch MJ, Mennucci B, Tomasi J, Cammi R, Barone V. 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: 94107. PMID 16526845 DOI: 10.1063/1.2173258 |
0.443 |
|
| 2005 |
Cappelli C, Mennucci B, Cammi R, Rizzo A. Quantum mechanical polarizable continuum model approach to the Kerr effect of pure liquids. The Journal of Physical Chemistry. B. 109: 18706-14. PMID 16853406 DOI: 10.1021/Jp053097Q |
0.405 |
|
| 2005 |
Corni S, Cammi R, Mennucci B, Tomasi J. Electronic excitation energies of molecules in solution within continuum solvation models: investigating the discrepancy between state-specific and linear-response methods. The Journal of Chemical Physics. 123: 134512. PMID 16223319 DOI: 10.1063/1.2039077 |
0.461 |
|
| 2005 |
Tomasi J, Mennucci B, Cammi R. Quantum mechanical continuum solvation models. Chemical Reviews. 105: 2999-3093. PMID 16092826 DOI: 10.1021/Cr9904009 |
0.373 |
|
| 2005 |
Cammi R, Corni S, Mennucci B, Tomasi J. Electronic excitation energies of molecules in solution: state specific and linear response methods for nonequilibrium continuum solvation models. The Journal of Chemical Physics. 122: 104513. PMID 15836338 DOI: 10.1063/1.1867373 |
0.473 |
|
| 2005 |
Cappelli C, Corni S, Mennucci B, Tomasi J, Cammi R. Infrared linear dichroism in stretched films: Quantum mechanical approach within the polarizable continuum model International Journal of Quantum Chemistry. 104: 716-726. DOI: 10.1002/Qua.20523 |
0.387 |
|
| 2004 |
Frediani L, Cammi R, Corni S, Tomasi J. A polarizable continuum model for molecules at diffuse interfaces. The Journal of Chemical Physics. 120: 3893-907. PMID 15268556 DOI: 10.1063/1.1643727 |
0.668 |
|
| 2004 |
Iozzi MF, Mennucci B, Tomasi J, Cammi R. Excitation energy transfer (EET) between molecules in condensed matter: a novel application of the polarizable continuum model (PCM). The Journal of Chemical Physics. 120: 7029-40. PMID 15267604 DOI: 10.1063/1.1669389 |
0.474 |
|
| 2004 |
Frediani L, Cammi R, Pomelli CS, Tomasi J, Ruud K. New developments in the symmetry-adapted algorithm of the Polarizable Continuum Model. Journal of Computational Chemistry. 25: 375-85. PMID 14696072 DOI: 10.1002/Jcc.10381 |
0.745 |
|
| 2004 |
Ruud K, Mennucci B, Cammi R, Frediani L. The calculation of excited-state polarizabilities of solvated molecules Journal of Computational Methods in Sciences and Engineering. 4: 381-397. DOI: 10.3233/Jcm-2004-4314 |
0.737 |
|
| 2004 |
Mennucci B, Tomasi J, Cammi R. Excitonic splitting in conjugated molecular materials: A quantum mechanical model including interchain interactions and dielectric effects Physical Review B - Condensed Matter and Materials Physics. 70: 205212-1-205212-11. DOI: 10.1103/Physrevb.70.205212 |
0.336 |
|
| 2004 |
Frediani L, Cammi R, Corni S, Tomasi J. A polarizable continuum model for molecules at diffuse interfaces Journal of Chemical Physics. 120: 3893-3907. DOI: 10.1063/1.1643727 |
0.604 |
|
| 2004 |
Frediani L, Mennucci B, Cammi R. Quantum-mechanical continuum solvation study of the polarizability of halides at the water/air interface Journal of Physical Chemistry B. 108: 13796-13806. DOI: 10.1021/Jp048414S |
0.661 |
|
| 2004 |
Cammi R, Mennucci B, Pomelli C, Cappelli C, Corni S, Frediani L, Trucks GW, Frisch MJ. Second-order Møller-Plesset second derivatives for the polarizable continuum model: Theoretical bases and application to solvent effects in electrophilic bromination of ethylene Theoretical Chemistry Accounts. 111: 66-77. DOI: 10.1007/S00214-003-0521-8 |
0.683 |
|
| 2004 |
Frediani L, Cammi R, Pomelli CS, Tomasi J, Ruud K. New Developments in the Symmetry-Adapted Algorithm of the Polarizable Continuum Model Journal of Computational Chemistry. 25: 375-385. DOI: 10.1002/jcc.10381 |
0.579 |
|
| 2003 |
Ruud K, Frediani L, Cammi R, Mennucci B. Solvent effects on the indirect spin-spin coupling constants of benzene:The DFT-PCM approach International Journal of Molecular Sciences. 4: 119-134. DOI: 10.3390/I4030119 |
0.714 |
|
| 2003 |
Cammi R, Frediani L, Mennucci B, Ruud K. Multiconfigurational self-consistent field linear response for the polarizable continuum model: Theory and application to ground and excited-state polarizabilities of para-nitroaniline in solution Journal of Chemical Physics. 119: 5818-5827. DOI: 10.1063/1.1603728 |
0.733 |
|
| 2003 |
Cappelli C, Rizzo A, Mennucci B, Tomasi J, Cammi R, Rikken GLJA, Mathevet R, Rizzo C. The Cotton-Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution Journal of Chemical Physics. 118: 10712-10724. DOI: 10.1063/1.1571813 |
0.353 |
|
| 2003 |
Cammi R, Frediani L, Mennucci B, Tomasi J. Calculation of nonlinear optical susceptibilities of pure liquids within the Polarizable Continuum Model: The effect of the macroscopic nonlinear polarization at the output frequency Journal of Molecular Structure: Theochem. 633: 209-216. DOI: 10.1016/S0166-1280(03)00275-6 |
0.657 |
|
| 2003 |
Paiola C, Cammi R, Pelagatti P, Pelizzi C. A density functional theory study of structural and NMR properties of SNN thiosemicarbazone ligands and their Pd(II) chlorocomplexes Journal of Molecular Structure-Theochem. 623: 105-119. DOI: 10.1016/S0166-1280(02)00675-9 |
0.385 |
|
| 2003 |
Mennucci B, Cammi R. Ab initio model to predict NMR shielding tensors for solutes in liquid crystals International Journal of Quantum Chemistry. 93: 121-130. DOI: 10.1002/Qua.10541 |
0.451 |
|
| 2002 |
Cammi R, Frediani L, Mennucci B, Tomasi J, Ruud K, Mikkelsen KV. A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation Journal of Chemical Physics. 117: 13-26. DOI: 10.1063/1.1480871 |
0.732 |
|
| 2002 |
Tomasi J, Cammi R, Mennucci B, Cappelli C, Corni S. Molecular properties in solution described with a continuum solvation model Physical Chemistry Chemical Physics. 4: 5697-5712. DOI: 10.1039/B207281P |
0.449 |
|
| 2002 |
Cappelli C, Corni S, Mennucci B, Cammi R, Tomasi J. Vibrational circular dichroism within the polarizable continuum model: A theoretical evidence of conformation effects and hydrogen bonding for (S)-(-)-3-butyn-2-ol in CCl4 solution Journal of Physical Chemistry A. 106: 12331-12339. DOI: 10.1021/Jp021273E |
0.424 |
|
| 2002 |
Mennucci B, Tomasi J, Cammi R, Cheeseman JR, Frisch MJ, Devlin FJ, Gabriel S, Stephens PJ. Polarizable continuum model (PCM) calculations of solvent effects on optical rotations of chiral molecules Journal of Physical Chemistry A. 106: 6102-6113. DOI: 10.1021/Jp020124T |
0.399 |
|
| 2001 |
Corni S, Cappelli C, Cammi R, Tomasi J. Theoretical Approach to the Calculation of Vibrational Raman Spectra in Solution within the Polarizable Continuum Model The Journal of Physical Chemistry A. 105: 8310-8316. DOI: 10.1021/Jp011079C |
0.433 |
|
| 2001 |
Cappelli C, Mennucci B, Tomasi J, Cammi R, Rizzo A. The Cotton-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 |
0.347 |
|
| 2001 |
Pomelli CS, Tomasi J, Cammi R. A symmetry adapted tessellation of the GEPOL surface: Applications to molecular properties in solution Journal of Computational Chemistry. 22: 1262-1272. DOI: 10.1002/Jcc.1083 |
0.386 |
|
| 2000 |
Cappelli C, Corni S, Cammi R, Mennucci B, Tomasi J. Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model Journal of Chemical Physics. 113: 11270-11279. DOI: 10.1063/1.1328070 |
0.42 |
|
| 2000 |
Cammi R, Mennucci B, Tomasi J. An attempt to bridge the gap between computation and experiment for nonlinear optical properties: Macroscopic susceptibilities in solution Journal of Physical Chemistry A. 104: 4690-4698. DOI: 10.1021/Jp994163P |
0.42 |
|
| 2000 |
Cammi R, Cappelli C, Corni S, Tomasi J. On the Calculation of Infrared Intensities in Solution within the Polarizable Continuum Model The Journal of Physical Chemistry A. 104: 9874-9879. DOI: 10.1021/Jp001749Z |
0.448 |
|
| 2000 |
Manalo MN, Dios ACd, Cammi R. Solvent Effects on15N NMR Shielding of 1,2,4,5-Tetrazine and Isomeric Tetrazoles: Continuous Set Gauge Transformation Calculation Using the Polarizable Continuum Model Journal of Physical Chemistry A. 104: 9600-9604. DOI: 10.1021/Jp001525G |
0.375 |
|
| 2000 |
Cammi R, Mennucci aB, Tomasi J. Fast Evaluation of Geometries and Properties of Excited Molecules in Solution: A Tamm-Dancoff Model with Application to 4-Dimethylaminobenzonitrile Journal of Physical Chemistry A. 104: 5631-5637. DOI: 10.1021/Jp000156L |
0.47 |
|
| 2000 |
Manalo MN, De Dios AC, Cammi R. Solvent effects on15N NMR shielding of 1,2,4,5-tetrazine and isomeric tetrazoles: Continuous set gauge transformation calculation using the polarizable continuum model Journal of Physical Chemistry A. 104: 9600-9604. |
0.311 |
|
| 1999 |
Cammi R, Mennucci B. Linear response theory for the polarizable continuum model The Journal of Chemical Physics. 110: 9877-9886. DOI: 10.1063/1.478861 |
0.414 |
|
| 1999 |
Cammi R, Mennucci B, Tomasi J. Nuclear magnetic shieldings in solution: Gauge invariant atomic orbital calculation using the polarizable continuum model The Journal of Chemical Physics. 110: 7627-7638. DOI: 10.1063/1.478674 |
0.452 |
|
| 1999 |
Mennucci B, Cammi R, Tomasi J. Analytical free energy second derivatives with respect to nuclear coordinates: Complete formulation for electrostatic continuum solvation models The Journal of Chemical Physics. 110: 6858-6870. DOI: 10.1063/1.478591 |
0.476 |
|
| 1999 |
Cammi R, Mennucci B, Tomasi J. Second-Order Møller−Plesset Analytical Derivatives for the Polarizable Continuum Model Using the Relaxed Density Approach The Journal of Physical Chemistry A. 103: 9100-9108. DOI: 10.1021/Jp991564W |
0.448 |
|
| 1999 |
Tomasi J, Cammi R, Mennucci B. Medium effects on the properties of chemical systems: An overview of recent formulations in the polarizable continuum model (PCM) International Journal of Quantum Chemistry. 75: 783-803. DOI: 10.1002/(Sici)1097-461X(1999)75:4/5<783::Aid-Qua44>3.0.Co;2-G |
0.359 |
|
| 1999 |
Mennucci B, Cammi R, Tomasi J. Medium effects on the properties of chemical systems: Electric and magnetic response of donor-acceptor systems within the polarizable continuum model International Journal of Quantum Chemistry. 75: 767-781. DOI: 10.1002/(Sici)1097-461X(1999)75:4/5<767::Aid-Qua43>3.0.Co;2-L |
0.415 |
|
| 1998 |
Cammi R. The Hartree–Fock calculation of the magnetic properties of molecular solutes Journal of Chemical Physics. 109: 3185-3196. DOI: 10.1063/1.476910 |
0.408 |
|
| 1998 |
Mennucci B, Cammi R, Tomasi J. Excited states and solvatochromic shifts within a nonequilibrium solvation approach: A new formulation of the integral equation formalism method at the self-consistent field, configuration interaction, and multiconfiguration self-consistent field level Journal of Chemical Physics. 109: 2798-2807. DOI: 10.1063/1.476878 |
0.411 |
|
| 1998 |
Cammi R, Mennucci B, Tomasi J. On the Calculation of Local Field Factors for Microscopic Static Hyperpolarizabilities of Molecules in Solution with the Aid of Quantum-Mechanical Methods The Journal of Physical Chemistry A. 102: 870-875. DOI: 10.1021/Jp9726807 |
0.409 |
|
| 1998 |
Cammi R, Mennucci B, Tomasi J. Solvent Effects on Linear and Nonlinear Optical Properties of Donor−Acceptor Polyenes: Investigation of Electronic and Vibrational Components in Terms of Structure and Charge Distribution Changes Journal of the American Chemical Society. 120: 8834-8847. DOI: 10.1021/Ja980823C |
0.391 |
|
| 1998 |
Mennucci B, Cammi R, Cossi M, Tomasi J. Solvent and vibrational effects on molecular electric properties. Static and dynamic polarizability and hyperpolarizabilities of urea in water Journal of Molecular Structure: Theochem. 426: 191-198. DOI: 10.1016/S0166-1280(97)00320-5 |
0.469 |
|
| 1998 |
Amovilli C, Barone V, Cammi R, Cancès E, Cossi M, Mennucci B, Pomelli CS, Tomasi J. Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model Advances in Quantum Chemistry. 32: 227-261. DOI: 10.1016/S0065-3276(08)60416-5 |
0.436 |
|
| 1997 |
Cammi R, Cossi M, Mennucci B, Tomasi J. 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 |
0.437 |
|
| 1996 |
Cammi R, Cossi M, Mennucci B, Tomasi J. Analytical Hartree–Fock calculation of the dynamical polarizabilities α, β, and γ of molecules in solution The Journal of Chemical Physics. 105: 10556-10564. DOI: 10.1063/1.472771 |
0.413 |
|
| 1996 |
Cammi R, Cossi M, Tomasi J. Analytical derivatives for molecular solutes. III. Hartree–Fock static polarizability and hyperpolarizabilities in the polarizable continuum model Journal of Chemical Physics. 104: 4611-4620. DOI: 10.1063/1.471208 |
0.452 |
|
| 1996 |
Tomasi J, Mennucci B, Cammi R. MEP: A tool for interpretation and prediction. From molecular structure to solvation effects Theoretical and Computational Chemistry. 3: 1-103. DOI: 10.1016/S1380-7323(96)80041-0 |
0.411 |
|
| 1996 |
Cossi M, Barone V, Cammi R, Tomasi J. Ab initio study of solvated molecules: a new implementation of the polarizable continuum model Chemical Physics Letters. 255: 327-335. DOI: 10.1016/0009-2614(96)00349-1 |
0.459 |
|
| 1996 |
Cammi R, Cossi M, Mennucci B, Pomelli CS, Tomasi J. Energy and energy derivatives for molecular solutes: Perspectives of application to hybrid quantum and molecular methods International Journal of Quantum Chemistry. 60: 1165-1178. DOI: 10.1002/(Sici)1097-461X(1996)60:6<1165::Aid-Qua5>3.0.Co;2-Y |
0.345 |
|
| 1996 |
Cammi R, Tomasi J. Time-dependent variational principle for nonlinear Hamiltonians and its application to molecules in the liquid phase International Journal of Quantum Chemistry. 60: 297-306. DOI: 10.1002/(Sici)1097-461X(1996)60:1<297::Aid-Qua30>3.0.Co;2-9 |
0.38 |
|
| 1995 |
Cossi M, Tomasi J, Cammi R. Analytical expressions of the free energy derivatives for molecules in solution. Application to the geometry optimization International Journal of Quantum Chemistry. 56: 695-702. DOI: 10.1002/Qua.560560876 |
0.411 |
|
| 1995 |
Cammi R, Tomasi J. Nonequilibrium solvation theory for the polarizable continuum model: A new formulation at theSCF level with application to the case of the frequency-dependent linear electric response function International Journal of Quantum Chemistry. 56: 465-474. DOI: 10.1002/Qua.560560850 |
0.394 |
|
| 1995 |
Cammi R, Tomasi J. Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: Iterative versus matrix-inversion procedures and the renormalization of the apparent charges Journal of Computational Chemistry. 16: 1449-1458. DOI: 10.1002/Jcc.540161202 |
0.311 |
|
| 1995 |
Coitiño EL, Tomasi J, Cammi R. On the evaluation of the solvent polarization apparent charges in the polarizable continuum model: A new formulation Journal of Computational Chemistry. 16: 20-30. DOI: 10.1002/Jcc.540160103 |
0.391 |
|
| 1994 |
Cammi R, Tomasi J. Analytical derivatives for molecular solutes. II. Hartree-Fock energy first and second derivatives with respect to nuclear coordinates The Journal of Chemical Physics. 101: 3888-3897. DOI: 10.1063/1.467506 |
0.407 |
|
| 1994 |
Cammi R, Tomasi J. Analytical derivatives for molecular solutes. I. Hartree-Fock energy first derivatives with respect to external parameters in the polarizable continuum model The Journal of Chemical Physics. 100: 7495-7502. DOI: 10.1063/1.466842 |
0.398 |
|
| 1993 |
Alagona G, Cammi R, Ghio C, Tomasi J. Molecular interactions in a homogeneous electric field: the (HF)2 complex Theoretical Chemistry Accounts. 85: 167-187. DOI: 10.1007/Bf01374586 |
0.344 |
|
| 1992 |
Natália M, Cordeiro DS, Cammi R, Gomes JANF, Tomasi J. Analysis of the interaction energy in the Cu+-H2O and Cl−-H2O systems, with CP corrections to the BSSE of the separate terms, and MC simulations of the aqueous systems with and without CP corrections Theoretical Chemistry Accounts. 82: 165-187. DOI: 10.1007/Bf01113250 |
0.301 |
|
| 1991 |
Tomasi J, Bonaccorsi R, Cammi R, del Valle FJ. Theoretical chemistry in solution. Some results and perspectives of the continuum methods and in particular of the polarizable continuum model Journal of Molecular Structure: Theochem. 234: 401-424. DOI: 10.1016/0166-1280(91)89026-W |
0.398 |
|
| 1991 |
Del Valle FJ, Bonaccorsi R, Cammi R, Tomasi J. Electron correlation and solvation effects Journal of Molecular Structure: Theochem. 230: 295-312. DOI: 10.1016/0166-1280(91)85186-B |
0.319 |
|
| 1991 |
Bonaccorsi R, Cammi R, Tomasi J. On theab initio geometry optimization of molecular solutes Journal of Computational Chemistry. 12: 301-309. DOI: 10.1002/Jcc.540120304 |
0.37 |
|
| 1989 |
Cammi R, Hofmann HJ, Tomasi J. Decomposition of the interaction energy between metal cations and water or ammonia with inclusion of counterpoise corrections to the interaction energy terms Theoretica Chimica Acta. 76: 297-313. DOI: 10.1007/Bf00529931 |
0.319 |
|
| 1989 |
Alagona G, Cammi R, Ghio C, Tomasi J. Noncovalent interactions of medium strength. A revised interpretation and examples of its applications International Journal of Quantum Chemistry. 35: 223-239. DOI: 10.1002/Qua.560350115 |
0.341 |
|
| 1988 |
Cammi R, del Valle FJO, Tomasi J. Decomposition of the interaction energy with counterpoise corrections to the basis set superposition error for dimers in solution. Method and application to the hydrogen fluoride dimer Chemical Physics. 122: 63-74. DOI: 10.1016/0301-0104(88)87260-4 |
0.361 |
|
| 1987 |
Alagona G, Ghio C, Cammi R, Tomasi J. The decomposition of the SCF interaction energy in hydrogen bonded dimers corrected for basis set superposition errors: An examination of the basis set dependence International Journal of Quantum Chemistry. 32: 227-248. DOI: 10.1002/Qua.560320207 |
0.349 |
|
| 1986 |
Cammi R, Oleari L, Oleari C. Symmetry descent in molecular systems Il Nuovo Cimento D. 8: 1-18. DOI: 10.1007/Bf02450462 |
0.357 |
|
| 1986 |
Cammi R, Tomasi J. Counterpoise corrections to the evaluation of the bimolecular interaction energy components - On the decoupling of the EMIXterm Theoretica Chimica Acta. 69: 11-22. DOI: 10.1007/Bf00526288 |
0.322 |
|
| 1986 |
Bonaccorsi R, Cammi R, Tomasi J. Counterpoise corrections to the components of bimolecular energy interactions: An examination of three methods of decomposition International Journal of Quantum Chemistry. 29: 373-378. DOI: 10.1002/Qua.560290311 |
0.301 |
|
| 1985 |
Cammi R, Bonaccorsi R, Tomasi J. Counterpoise corrections to the interaction energy components in bimolecular complexes Theoretica Chimica Acta. 68: 271-283. DOI: 10.1007/Bf00527535 |
0.323 |
|
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